SCHEMBL824005

SCHEMBL824005

O=[N+]([O-])c1cccc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.61
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
PDE4D Q08499 2/20 0.52
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
PRKCA P17252 2/20 0.52
EGFR P00533 1/20 0.52
SRC P12931 1/20 0.52
IDO1 P14902 1/20 0.50
TOP1 P11387 1/20 0.49
MAPT P10636 3/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
GRM5 P41594 1/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL1467651 0.95 PLK1 (0.56) PLK1NPC1RAB9ABCHEACHE
SCHEMBL1641885 0.83 PDE4D (0.48) PLK1NPC1RAB9ABCHEACHE
SCHEMBL4706796 0.82 PLK1 (0.61) PLK1NPC1RAB9ABCHEACHE
SCHEMBL1640857 0.82 CCNT1 (0.48) PLK1NPC1RAB9ABCHEACHE
SCHEMBL2369694 0.81 PIK3CA (0.57) PLK1NPC1RAB9AMAPTTDP1
SCHEMBL1640578 0.81 CDK2 (0.53) PLK1NPC1RAB9ABCHEACHE
SCHEMBL1641715 0.81 MYC (0.52) PLK1NPC1RAB9APDE4DABL1
SCHEMBL1262545 0.81 NPC1 (0.52) NPC1RAB9ABCHEACHEPDE4D
SCHEMBL29441685 0.81 NPC1 (0.52) NPC1RAB9ABCHEACHEPDE4D
SCHEMBL22206166 0.80 NPC1 (0.55) PLK1NPC1RAB9ABCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2026-01-22 US disclosed
US-12371408-B2 Aryl hydrocarbon receptor agonists and uses thereof NEXYS THERAPEUTICS, INC. (US) 2025-07-29 US disclosed
US-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-02-18 US disclosed
WO-2025011445-A1 PYRIMIDINAMINE NUAK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 WO disclosed
US-12168646-B2 Aryl hydrocarbon receptor agonists and uses thereof NEXYS THERAPEUTICS, INC. (US) 2024-12-17 US disclosed
EP-4472953-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF Nexys Therapeutics, Inc. (US) 2024-12-11 EP disclosed
CN-118891251-A Aryl hydrocarbon receptor agonists and uses thereof 奈可萨斯医药有限公司 2024-11-01 CN disclosed
US-20240279185-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-08-22 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
EP-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed
CN-101365703-A Heteroalkyl linked pyrimidine derivatives S BIO PTE LTD (SG) 2009-02-11 CN disclosed
EP-1951730-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*Bio Pte Ltd (SG) 2008-08-06 EP disclosed
CN-101010317-A 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2007-08-01 CN disclosed
CN-101010318-A 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2007-08-01 CN disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
EP-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 US disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 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 (7 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-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PLK1 1616/4885NPC1 198/4885RAB9A 1738/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE PLK1 1135/4885NPC1 3948/4885RAB9A 2181/4885
US-12371408-B2 Aryl hydrocarbon receptor agonists and uses thereof AHR, ARNT, NR1H2 PLK1 4810/4885NPC1 1358/4885RAB9A 4392/4885
US-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, NR1H4, CNR1 PLK1 4850/4885NPC1 505/4885RAB9A 3951/4885
US-20240279185-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 PLK1 4810/4885NPC1 1358/4885RAB9A 4392/4885
US-12168646-B2 Aryl hydrocarbon receptor agonists and uses thereof AHR, ARNT, NR1H2 PLK1 4810/4885NPC1 1358/4885RAB9A 4392/4885
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 PLK1 4810/4885NPC1 1358/4885RAB9A 4392/4885

“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.