SCHEMBL2597877

SCHEMBL2597877

NCCc1ccc2ncccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
ATM Q13315 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
DAO P14920 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.53
HDAC3 O15379 2/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 1/20 0.49

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
Hydrochloric Acid SCHEMBL20562948 0.98 ALDH1A1 (0.58) ALDH1A1MAPTATMKDM4ETP53
SCHEMBL20593108 0.86 ALDH1A1 (0.50) ALDH1A1MAPTATMKDM4ETP53
SCHEMBL507149 0.85 ALDH1A1 (0.58) ALDH1A1MAPTATMKDM4ETP53
SCHEMBL30586439 0.85 ALDH1A1 (0.58) ALDH1A1MAPTATMKDM4ETP53
SCHEMBL29673226 0.85 ALDH1A1 (0.58) ALDH1A1MAPTATMKDM4ETP53
Iodide SCHEMBL20524052 0.84 ALDH1A1 (0.56) ALDH1A1MAPTATMKDM4ETP53
SCHEMBL25354572 0.82 DAO (0.57) ALDH1A1MAPTATMKDM4ETP53
SCHEMBL3846360 0.82 DAO (0.54) ALDH1A1MAPTATMKDM4ETP53
SCHEMBL252567 0.82 DAO (0.54) ALDH1A1MAPTATMKDM4ETP53
SCHEMBL6961498 0.82 DAO (0.57) ALDH1A1MAPTATMKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
EP-3893872-A1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF Beta Pharma, Inc. (US) 2021-10-20 EP disclosed
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-09-23 US disclosed
US-20200286923-A1 ARRAY ANTENNA, METHOD FOR PRODUCING SAME, AND LIQUID CRYSTAL ALIGNING AGENT FOR ARRAY ANTENNA JSR CORPORATION (JP) 2020-09-10 US disclosed
EP-3325497-B1 QUINSTATIN COMPOUNDS UNIV ARIZONA STATE (US) 2020-09-02 EP disclosed
EP-3325497-B1 QUINSTATIN COMPOUNDS UNIV ARIZONA STATE (US) 2020-09-02 EP disclosed
WO-2020124060-A1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2020-06-18 WO disclosed
WO-2019244939-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME, AND PRODUCTION METHOD FOR SAID LIQUID CRYSTAL DISPLAY ELEMENT, AND DIAMINE COMPOUND 日産化学株式会社 2019-12-26 WO disclosed
US-10435435-B2 Quinstatin compounds THE ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-10-08 US disclosed
WO-2017019489-A1 QUINSTATIN COMPOUNDS PETTIT GEORGE ROBERT (US) 2017-02-02 WO disclosed
WO-2017019489-A1 QUINSTATIN COMPOUNDS PETTIT GEORGE ROBERT (US) 2017-02-02 WO disclosed
US-9260663-B2 Liquid crystal composition, liquid crystal display, and method for producing liquid crystal display JSR CORPORATION (JP) 2016-02-16 US disclosed
US-9260663-B2 Liquid crystal composition, liquid crystal display, and method for producing liquid crystal display JSR CORPORATION (JP) 2016-02-16 US disclosed
US-20150092147-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY, AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY JSR CORPORATION (JP) 2015-04-02 US disclosed
US-20150092147-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY, AND METHOD FOR PRODUCING LIQUID CRYSTAL DISPLAY JSR CORPORATION (JP) 2015-04-02 US disclosed
EP-2571878-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES Incozen Therapeutics Pvt. Ltd. (IN) 2013-03-27 EP disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO disclosed
WO-2011132751-A1 LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-10-27 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 (3 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 ALDH1A1 571/4885MAPT 3868/4885ATM 1124/4885
US-10435435-B2 Quinstatin compounds QTRT1, COQ8A, QPCT ALDH1A1 4656/4885MAPT 899/4885ATM 1878/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 ALDH1A1 571/4885MAPT 3868/4885ATM 1124/4885

“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.