SCHEMBL1787047

SCHEMBL1787047

O=C1NCCN1c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ALOX5 P09917 4/20 0.49
MGLL Q99685 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD11B1 P28845 1/20 0.44
LMNA P02545 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 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
SCHEMBL31456513 0.90 ALOX5 (0.50) ALDH1A1ALOX5MGLLMEN1KMT2A
SCHEMBL21920283 0.90 ALOX5 (0.50) ALDH1A1ALOX5MGLLMEN1KMT2A
SCHEMBL5056229 0.81 ALOX5 (0.50) ALDH1A1ALOX5MGLLMEN1KMT2A
SCHEMBL7344849 0.81 ALOX5 (0.59) ALDH1A1ALOX5MGLLMEN1KMT2A
SCHEMBL1965858 0.81 DDB1 (0.61) ALDH1A1ALOX5MEN1KMT2ALMNA
SCHEMBL28967710 0.80 PRMT1 (0.42) ALDH1A1ALOX5MEN1KMT2ADDB1
SCHEMBL30179407 0.80 PRMT1 (0.42) ALDH1A1ALOX5MEN1KMT2ADDB1
SCHEMBL5182221 0.79 FAAH (0.47) ALOX5MGLLMEN1KMT2ADDB1
SCHEMBL150081 0.79 ALOX5 (0.60) ALOX5MGLLMEN1KMT2AL3MBTL1
SCHEMBL4013099 0.79 CYP2C9 (0.45) ALDH1A1ALOX5MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540247-A1 MULTI-KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2025-04-23 EP disclosed
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US disclosed
CN-119032093-A Multi-kinase inhibitors, compositions and methods of use 百放开曼有限公司 2024-11-26 CN disclosed
WO-2023246491-A1 MULTI-KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2023-12-28 WO disclosed
WO-2023245329-A1 MULTI-KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2023-12-28 WO disclosed
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-11-24 US disclosed
CN-108698992-B 2-cyanoisoindoline derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-19 CN disclosed
EP-3852752-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-07-28 EP disclosed
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
CN-102516115-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2012-06-27 CN disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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 (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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 ALDH1A1 2398/4885ALOX5 2857/4885MGLL 4581/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 ALDH1A1 2398/4885ALOX5 2857/4885MGLL 4581/4885
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 ALDH1A1 3500/4885ALOX5 2392/4885MGLL 2945/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 ALDH1A1 4254/4885ALOX5 1942/4885MGLL 609/4885

“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.