SCHEMBL855363

SCHEMBL855363

Cc1[nH]c2ncccc2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AURKA O14965 1/20 0.48
PARP1 P09874 1/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AHR P35869 2/20 0.47
ALDH1A1 P00352 1/20 0.44
FEN1 P39748 1/20 0.43
LATS1 O95835 2/20 0.42
LATS2 Q9NRM7 1/20 0.42
AXL P30530 1/20 0.41
PDK2 Q15119 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CHEK1 O14757 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30324482 1.00 KDM4E (0.50) KDM4EMAPTSMN1; SMN2AURKAPARP1
SCHEMBL9386690 0.85 KDM4E (0.40) KDM4EMAPTSMN1; SMN2AURKAPARP1
SCHEMBL4560911 0.82 AURKA (0.47) KDM4EMAPTSMN1; SMN2AURKAPARP1
SCHEMBL23107328 0.80 AURKA (0.46) MAPTSMN1; SMN2AURKAPARP1NPC1
SCHEMBL8324572 0.80 AURKA (0.46) SMN1; SMN2AURKAPARP1NPC1HSP90AA1
SCHEMBL8324581 0.80 AURKA (0.46) KDM4EMAPTSMN1; SMN2AURKAPARP1
SCHEMBL857106 0.80 AXL (0.47) KDM4EMAPTSMN1; SMN2AURKAPARP1
SCHEMBL28329874 0.80 AXL (0.47) KDM4EMAPTSMN1; SMN2AURKAPARP1
SCHEMBL21115235 0.80 AURKA (0.46) KDM4EMAPTSMN1; SMN2AURKAPARP1
SCHEMBL8327130 0.79 AURKA (0.44) KDM4EMAPTSMN1; SMN2AURKAPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2025-07-31 US disclosed
US-20230123856-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF TENAYA THERAPEUTICS, INC. (US) 2023-04-20 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
WO-2021072487-A1 SULFONAMIDE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER TroBio Therapeutics Pty Ltd (AU) 2021-04-22 WO disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
WO-2010005528-A2 PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES IRONWOOD PHARMACEUTICALS INCORPORATED (US) 2010-01-14 WO disclosed
EP-0509974-B1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof ASTRA AB (SE) 1999-01-13 EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 US disclosed
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 KDM4E 2005/4885MAPT 4171/4885SMN1; SMN2 3233/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885MAPT 2516/4885SMN1; SMN2 3418/4885
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 KDM4E 209/4885MAPT 1994/4885SMN1; SMN2 3186/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KDM4E 2029/4885MAPT 2203/4885SMN1; SMN2 1839/4885
US-20250243194-A1 ANTAGONIST OF ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA1 KDM4E 3478/4885MAPT 4767/4885SMN1; SMN2 3476/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KDM4E 2029/4885MAPT 2203/4885SMN1; SMN2 1839/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KDM4E 2029/4885MAPT 2203/4885SMN1; SMN2 1839/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 KDM4E 2788/4885MAPT 800/4885SMN1; SMN2 3322/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KDM4E 2029/4885MAPT 2203/4885SMN1; SMN2 1839/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 KDM4E 2297/4885MAPT 4261/4885SMN1; SMN2 2564/4885
US-20230123856-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF SLC28A1, SLC5A1, SLC9A5 KDM4E 2006/4885MAPT 1698/4885SMN1; SMN2 684/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.