SCHEMBL945856

SCHEMBL945856

NC(=O)c1cccnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
TDP1 Q9NUW8 1/20 0.55
BCAT2 O15382 1/20 0.53
PARP1 P09874 3/20 0.51
NAPRT Q6XQN6 1/20 0.47
RORB Q92753 1/20 0.47
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
SYK P43405 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
MAP2K1 Q02750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44

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
SCHEMBL29916420 1.00 KDM4E (0.55) KDM4ETDP1BCAT2PARP1NAPRT
SCHEMBL16059482 0.87 PARP1 (0.50) KDM4ETDP1PARP1CLK4ALDH1A1
SCHEMBL31660092 0.87 PARP1 (0.50) KDM4ETDP1PARP1CLK4ALDH1A1
SCHEMBL15548944 0.86 BCAT2 (0.61) KDM4ETDP1BCAT2PARP1NAPRT
SCHEMBL4186883 0.86 KDM4E (0.65) KDM4ETDP1PARP1NAPRTMAPT
SCHEMBL12592293 0.86 PLA2G2A (0.50) KDM4ETDP1PARP1CLK4ALDH1A1
SCHEMBL21807964 0.86 RAB9A (0.52) KDM4ETDP1ALDH1A1RAB9A
SCHEMBL30108238 0.86 RAB9A (0.52) KDM4ETDP1ALDH1A1RAB9A
SCHEMBL30108233 0.86 PARP1 (0.49) KDM4ETDP1PARP1NAPRTMAPT
SCHEMBL10969548 0.85 RORB (0.60) KDM4ETDP1NAPRTRORBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433167-A Benzo-heterocyclic compound with Snail inhibitory activity, preparation method, pharmaceutical composition and medical application thereof 中国药科大学 2022-12-06 CN claimed
US-10125118-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-11-13 US claimed
EP-3303291-A1 ROR GAMMA (ROR ) MODULATORS Lead Pharma Holding B.V. (NL) 2018-04-11 EP claimed
US-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-12-14 US claimed
CN-103958478-B Bicyclic dihydroisoquinolin-1-one derivatives 霍夫曼-拉罗奇有限公司 2017-08-01 CN claimed
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO LTD (KR) 2017-03-09 US claimed
WO-2016193452-A1 ROR GAMMA (RORγ) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO claimed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP claimed
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor NIPPON SHINYAKU CO., LTD. (JP) 2025-12-30 US disclosed
CN-120025312-A Benzazepine derivatives 大塚制药株式会社 2025-05-23 CN disclosed
US-20250051310-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-02-13 US disclosed
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US disclosed
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-08-29 US disclosed
EP-4056557-B1 BENZAZEPINE DERIVATIVES USEFUL AS MEDICAMENTS OTSUKA PHARMA CO LTD (JP) 2023-11-22 EP disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US disclosed
CN-1610670-A 4-phenyl-pyridine derivatives as neurokinin-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2005-04-27 CN disclosed
EP-1482929-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP disclosed
EP-1425276-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2004-06-09 EP disclosed
WO-2003072098-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-04 WO disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 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 (8 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-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC KDM4E 1727/4885TDP1 4257/4885BCAT2 981/4885
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC KDM4E 1727/4885TDP1 4257/4885BCAT2 981/4885
US-10125118-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC KDM4E 1727/4885TDP1 4257/4885BCAT2 981/4885
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor PDGFRA, PDGFRB, PDGFA KDM4E 713/4885TDP1 2525/4885BCAT2 1410/4885
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLB KDM4E 3720/4885TDP1 37/4885BCAT2 3574/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 KDM4E 698/4885TDP1 1105/4885BCAT2 1597/4885
US-20250051310-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B KDM4E 1739/4885TDP1 4429/4885BCAT2 592/4885
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC KDM4E 1727/4885TDP1 4257/4885BCAT2 981/4885

“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.