SCHEMBL424668

SCHEMBL424668

Cc1ccc2sccc2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CCR1 P32246 1/20 0.37
RAB9A P51151 1/20 0.37
CCR5 P51681 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
MAPT P10636 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
HTT P42858 1/20 0.33
DYRK1A Q13627 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL25270227 0.77 HTT (0.38) CYP1A2KDM4EPOLBMAPTHTT
SCHEMBL7708390 0.74 ADORA3 (0.36) RAB9AMAPTADORA2AADORA1DYRK1A
SCHEMBL22990772 0.74 NCF1 (0.45) CYP1A2POLBADORA2AADORA1HTT
SCHEMBL5174321 0.73 DYRK1A (0.32) RAB9AKDM4EMAPTHTTDYRK1A
SCHEMBL29480807 0.73 AXL (0.36) RAB9AKDM4EADORA2AADORA1DYRK1A
SCHEMBL16976848 0.73 DYRK1A (0.32) DYRK1ACYP2A6
SCHEMBL2811269 0.73 AXL (0.36) RAB9AKDM4EADORA2AADORA1DYRK1A
SCHEMBL9920622 0.72 PDE10A (0.38) CYP1A2RAB9AKDM4EPOLBMAPT
SCHEMBL24037293 0.72 ADORA2A (0.35) ADORA2AADORA1DYRK1A
SCHEMBL13472677 0.72 KDM1A (0.38) RAB9AADORA2AADORA1DYRK1ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-29 US disclosed
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
WO-2022007966-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川海思科制药有限公司 2022-01-13 WO disclosed
EP-3838897-A2 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-06-23 EP disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO disclosed
EP-3553056-A1 (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-10-16 EP disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
EP-0842178-B1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2001-03-28 EP disclosed
EP-0604114-B1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 2000-05-03 EP disclosed
US-6001849-A Furopyridine, thienopyridine pyrrolopyridine useful in controlling chemical synaptic transmission ABBOTT LABORATORIES (US) 1999-12-14 US disclosed
EP-0842178-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-05-20 EP disclosed
WO-1997005139-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-02-13 WO disclosed
EP-0737196-A1 DIARYL 5,6-FUSED HETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1996-10-16 EP disclosed
US-5472964-A Diaryl 5,6-fused heterocyclic acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1995-12-05 US disclosed
WO-1995018132-A1 DIARYL 5,6-FUSED HETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-07-06 WO disclosed
WO-1994014815-A1 DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-07-07 WO disclosed
EP-0604114-A1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1994-06-29 EP 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 (4 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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP1A2 572/4885CCR1 1131/4885RAB9A 3956/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 CYP1A2 121/4885CCR1 2794/4885RAB9A 503/4885
US-20230209989-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME DDT, L3MBTL1, LAGE3 CYP1A2 3574/4885CCR1 4846/4885RAB9A 3479/4885
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRM1, OPRD1, OXER1 CYP1A2 998/4885CCR1 730/4885RAB9A 421/4885

“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.