SCHEMBL562014

SCHEMBL562014

COc1cccc(N)c1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
ADRA2B P18089 1/20 0.60
PTGS1 P23219 1/20 0.60
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL1501174 0.83 CA1 (0.58) ALDH1A1TDP1ADRA2BPTGS1CA12
Ammonia Solution, Strong SCHEMBL2233000 0.80 CA1 (0.55) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL363904 0.78 ALDH1A1 (0.41) ALDH1A1TDP1ADRA2BPTGS1POLB
SCHEMBL27926958 0.77 ALDH1A1 (0.64) ALDH1A1TDP1ADRA2BPTGS1POLB
SCHEMBL15453566 0.76 CA1 (0.50) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL29726496 0.76 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL7276398 0.76 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL30816756 0.76 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL7930018 0.76 CA1 (0.50) ALDH1A1TDP1ADRA2BPTGS1CA12
SCHEMBL216473 0.76 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153655-A For preventing or treating the novel N- acyl urea derivatives of cardiovascular disease and comprising its composition 高丽大学校产学协力团 2019-01-04 CN claimed
EP-3063136-A2 PHENAZINE DERIVATIVES AS ANTI-CANCER AND ANTI-INFECTIVE AGENTS Universitetet I Oslo (NO) 2016-09-07 EP claimed
WO-2015063516-A2 COMPOUNDS UNIVERSITETET I OSLO (NO) 2015-05-07 WO claimed
US-20250393467-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-12-25 US disclosed
US-20250361237-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE ORIGENIS GMBH (DE) 2025-11-27 US disclosed
US-12410187-B2 Fused tricyclic compounds useful as anticancer agents ASTRAZENECA AB (SE) 2025-09-09 US disclosed
US-12384788-B2 1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as LRRK2, NUAK1 and/or TYK2 kinase modulators for the treatment of e.g. autoimmune disease ORIGENIS GMBH (DE) 2025-08-12 US disclosed
WO-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 WO disclosed
CN-119775277-A Compounds as modulators of LRRK2, NUAK1 and/or TYK2 kinases for the treatment of, for example, autoimmune diseases 原真股份有限公司 2025-04-08 CN disclosed
CN-114793435-B Compounds as modulators of LRRK2, NUAK1 and/or TYK2 kinases for the treatment of, for example, autoimmune diseases 原真股份有限公司 2024-10-01 CN disclosed
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-1185227-C Novel compounds ASTRAZENECA AB (SE) 2005-01-19 CN disclosed
WO-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 WO disclosed
WO-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 WO disclosed
EP-1242406-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
CN-1434818-A Novel compounds ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
US-20030036552-A1 Novel compounds ASTRAZENECA AB (SE) 2003-02-20 US disclosed
EP-1242406-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-09-25 EP disclosed
CN-1326457-A 4-aminopyrrolopyrimidines as kinase inhibitors BASF AG (DE) 2001-12-12 CN disclosed
WO-2001046263-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-06-28 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 (6 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-12410187-B2 Fused tricyclic compounds useful as anticancer agents MCL1, TP53, CCNA2 ALDH1A1 917/4885TDP1 1442/4885ADRA2B 4038/4885
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 ALDH1A1 1598/4885TDP1 227/4885ADRA2B 946/4885
US-20250393467-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OXSR1, EPOR ALDH1A1 1405/4885TDP1 3946/4885ADRA2B 531/4885
US-12384788-B2 1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as LRRK2, NUAK1 and/or TYK2 kinase modulators for the treatment of e.g. autoimmune disease NUAK1, TYK2, MARK1 ALDH1A1 2169/4885TDP1 440/4885ADRA2B 875/4885
US-20250361237-A1 1,4-DIHYDROBENZO[D]PYRAZOLO[3,4-F][1,3]DIAZEPINE DERIVATIVES AND RELATED COMPOUNDS AS LRRK2, NUAK1 AND/OR TYK2 KINASE MODULATORS FOR THE TREATMENT OF E.G. AUTOIMMUNE DISEASE NUAK1, TYK2, MARK1 ALDH1A1 2169/4885TDP1 440/4885ADRA2B 875/4885
US-20030036552-A1 Novel compounds ARRB1, OPRK1, OPRM1 ALDH1A1 383/4885TDP1 2487/4885ADRA2B 31/4885

“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.