SCHEMBL979566

SCHEMBL979566

Nc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.71
NPC1 O15118 11/20 0.71
KDM4E B2RXH2 8/20 0.71
POLB P06746 1/20 0.71
GFER P55789 3/20 0.69
PKM P14618 5/20 0.65
EPHX2 P34913 1/20 0.65
HDAC6 Q9UBN7 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
MIF P14174 1/20 0.60
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
MAPK1 P28482 3/20 0.60
HPGD P15428 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
PTGS1 P23219 1/20 0.56

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
SCHEMBL13325909 0.91 RAB9A (0.83) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL13325938 0.89 RAB9A (0.80) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL13325735 0.86 RAB9A (0.75) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL966793 0.85 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL31154574 0.85 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL29080554 0.85 RAB9A (0.74) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL15382764 0.85 RAB9A (0.69) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL970334 0.84 RAB9A (0.73) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL25343703 0.84 RAB9A (0.72) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL25789158 0.83 RAB9A (0.67) RAB9ANPC1KDM4EPOLBGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed
EP-4417604-A1 NOVEL COMPOUND FOR CAPPING LAYER, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME Dongjin Semichem Co., Ltd. (KR) 2024-08-21 EP disclosed
CN-118043318-A Novel compound for capping layer and organic light-emitting element comprising same 株式会社东进世美肯 2024-05-14 CN disclosed
CN-116075509-A Novel compound for capping layer and organic light-emitting element comprising same 东进世美肯株式会社 2023-05-05 CN disclosed
CN-115991654-A Novel compound for coating layer and organic light-emitting element comprising same 东进世美肯株式会社 2023-04-21 CN disclosed
CN-115991668-A Novel compound for coating layer and organic light-emitting element comprising same 东进世美肯株式会社 2023-04-21 CN disclosed
WO-2023063701-A1 NOVEL COMPOUND FOR CAPPING LAYER, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2023-04-20 WO disclosed
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation ISDIN, S.A. (ES) 2008-10-16 US disclosed
EP-1891050-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-02-27 EP disclosed
WO-2006128920-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO disclosed
WO-2006128791-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
US-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein BF RESEARCH INSTITUTE (JP) 2005-11-24 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 EP 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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 RAB9A 1809/4885NPC1 2815/4885KDM4E 1558/4885
US-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD RAB9A 1179/4885NPC1 1152/4885KDM4E 2489/4885
US-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein PRNP, PRPH, PCNP RAB9A 1787/4885NPC1 147/4885KDM4E 4402/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE RAB9A 107/4885NPC1 1326/4885KDM4E 799/4885
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 RAB9A 1191/4885NPC1 1768/4885KDM4E 2294/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT RAB9A 3127/4885NPC1 952/4885KDM4E 4325/4885
US-20080253978-A1 Derivatives of Pyrrolyltriazine Together with Methods for Obtaining Them and Their Use as Protecting Agents Uv Radiation UNG, TPMT, PPOX RAB9A 1809/4885NPC1 1774/4885KDM4E 3135/4885

“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.