SCHEMBL7766739

SCHEMBL7766739

CCc1ncnc(Cl)c1Br

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
POLB P06746 1/20 0.37
OPRK1 P41145 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 2/20 0.32
ENPP1 P22413 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30677190 0.84 GABRA1 (0.35) SMN1; SMN2
SCHEMBL8168067 0.83 OPRK1 (0.38) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL3641399 0.77 SELE (0.40) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL856076 0.76 SELE (0.39) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL856427 0.76 ALDH1A1 (0.39) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL8176802 0.76 GABRA1 (0.30)
SCHEMBL2128819 0.75
SCHEMBL8180870 0.75 SELE (0.30) SELEVCAM1
SCHEMBL503164 0.74 SELE (0.38) SELEVCAM1POLBOPRK1RXFP1
SCHEMBL372414 0.74 SELE (0.38) SELEVCAM1POLBOPRK1RXFP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108395408-B Drug intermediate and preparation method thereof 杰达维(上海)医药科技发展有限公司 2021-03-09 CN claimed
CN-109906224-B Triazolopyridine compounds and uses thereof 诺华股份有限公司 2022-02-25 CN disclosed
CN-108395408-B Drug intermediate and preparation method thereof 杰达维(上海)医药科技发展有限公司 2021-03-09 CN disclosed
US-10689378-B2 Triazolopyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-23 US disclosed
EP-3472161-B1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2020-03-25 EP disclosed
US-20190202828-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-07-04 US disclosed
EP-3472161-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2019-04-24 EP disclosed
WO-2017221092-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-12-28 WO disclosed
EP-1100785-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES Aventis CropScience GmbH (DE) 2001-05-23 EP disclosed
US-6197729-B1 COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND HOECHST SCHERING AGREVO (DE) 2001-03-06 US disclosed
WO-2000063176-A2 DISUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES AND FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-10-26 WO disclosed
WO-2000007998-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES AVENTIS CROPSCIENCE GMBH (DE) 2000-02-17 WO disclosed
US-5889012-A INSECTICIDE, ACARICIDES, FUNGICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-03-30 US disclosed
CN-1161034-A Substituted cycloalkylamino and cycloalkoxy heterocycles, process for preparing the same and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 1997-10-01 CN disclosed
EP-0470600-B1 Naphthylalkylaminopyrimidine derivatives, process for their preparation and pesticides containing them CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996011913-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-04-25 WO disclosed
US-5468751-A Aminopyrimidine derivatives as microbicides, insecticides and acaricides CIBA-GEIGY CORPORATION (US) 1995-11-21 US disclosed
EP-0470600-A1 Naphthylalkylaminopyrimidine derivatives, process for their preparation and pesticides containing them CIBA-GEIGY AG (CH) 1992-02-12 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 (2 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-20190202828-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF EZH2, EED, BMI1 SELE 4641/4885VCAM1 4186/4885POLB 2872/4885
US-10689378-B2 Triazolopyridine compounds and uses thereof EZH2, EED, BMI1 SELE 4641/4885VCAM1 4186/4885POLB 2872/4885

“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.