SCHEMBL435803

SCHEMBL435803

Nc1ccnc2cc(Br)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.61
SOS2 Q07890 1/20 0.61
NCF1 P14598 2/20 0.53
ALK Q9UM73 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
BACE1 P56817 2/20 0.42
GAK O14976 1/20 0.42
SLC22A12 Q96S37 2/20 0.41
PLAU P00749 1/20 0.40
PDPK1 O15530 1/20 0.40
JAK2 O60674 1/20 0.40
PABPC1 P11940 1/20 0.40
ACHE P22303 1/20 0.39
EGFR P00533 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL31285386 1.00 NR4A2 (0.61) NR4A2SOS2NCF1ALKCYP1A2
SCHEMBL436939 0.84 NR4A2 (0.61) NR4A2SOS2NCF1CYP1A2CYP2C19
SCHEMBL4470963 0.79 ALK (0.53) NR4A2SOS2NCF1ALKCYP1A2
SCHEMBL29896720 0.79 ALK (0.53) NR4A2SOS2NCF1ALKCYP1A2
SCHEMBL3073397 0.79 NR4A2 (0.66) NR4A2SOS2NCF1HTTPDPK1
SCHEMBL30044428 0.79 NR4A2 (0.66) NR4A2SOS2NCF1HTTPDPK1
Bromide SCHEMBL11522045 0.78 ALK (0.51) NR4A2SOS2NCF1ALKCYP1A2
SCHEMBL16247976 0.76 ALK (0.50) NR4A2SOS2NCF1ALKCYP1A2
SCHEMBL19878153 0.76 ALK (0.50) NCF1ALKCYP1A2CYP2C19HTT
SCHEMBL1490718 0.76 ALK (0.50) NCF1ALKCYP1A2CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US claimed
EP-4567032-A1 KIF18A INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2025-06-11 EP disclosed
CN-119731163-A KIF18A inhibitor compound, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2025-03-28 CN disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
EP-4353235-A2 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2024-04-17 EP disclosed
WO-2024051755-A1 KIF18A INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF 长春金赛药业有限责任公司 2024-03-14 WO disclosed
US-11926632-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
CN-112521387-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 CN disclosed
EP-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
EP-3351543-A1 1-(QUINOLIN-4-YL)-3-(6-(TRIFLUOROMETHYL)-PYRIDIN-2-YL)UREA AND 1-(QUINOLIN-4-YL)-3-(6-(TRIFLUOROMETHYL)-PYRAZINE-2-YL)UREA DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 (GSK-3) INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2018-07-25 EP disclosed
US-9540370-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBVIE DEUTSCHLAND GMBH & CO., KG. (DE) 2017-01-10 US disclosed
CN-103476766-B Heterocyclic compound and they are as the purposes of glycogen synthase kinase-3 inhibitors ABBVIE德国有限责任两合公司 2016-08-10 CN disclosed
US-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-01 US disclosed
US-9090592-B2 Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-07-28 US disclosed
CN-103476766-A Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors ABBOTT GMBH & CO KG 2013-12-25 CN disclosed
EP-2658854-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Abbvie Deutschland GmbH & Co. KG (DE) 2013-11-06 EP disclosed
WO-2012089828-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-07-05 WO disclosed
US-20120172376-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-07-05 US disclosed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD NR4A2 232/4885SOS2 4356/4885NCF1 188/4885
US-11926632-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS NR4A2 2014/4885SOS2 1255/4885NCF1 374/4885
US-20150274724-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 NR4A2 3713/4885SOS2 1646/4885NCF1 3432/4885
US-20120172376-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 NR4A2 3713/4885SOS2 1646/4885NCF1 3432/4885

“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.