SCHEMBL8779862

SCHEMBL8779862

CSc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
TP53 P04637 1/20 0.48
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR2 P41597 5/20 0.44
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
FBP1 P09467 1/20 0.42
CRHR1 P34998 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8486284 0.88 ITGB2 (0.42) ITGB2ICAM1ITGALTP53RAB9A
SCHEMBL3787206 0.82 CCR2 (0.46) ITGB2ICAM1ITGALTP53RAB9A
SCHEMBL1145559 0.80 TP53 (0.48) TP53RAB9ANPC1ALDH1A1KDM4E
SCHEMBL3165346 0.79 ITGB2 (0.72) ITGB2ICAM1ITGALTP53ALDH1A1
SCHEMBL30472043 0.79 FBP1 (0.58) ITGB2ICAM1ITGALTP53ALDH1A1
SCHEMBL224671 0.79 FBP1 (0.58) ITGB2ICAM1ITGALTP53ALDH1A1
SCHEMBL3793217 0.78 PDE7A (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2CCR2
SCHEMBL31396637 0.78 CCR2 (0.44) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL13461858 0.78 LMNA (0.41) TP53RAB9ANPC1ALDH1A1HPGD
SCHEMBL8489299 0.78 CCR2 (0.44) RAB9ANPC1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3370729-B1 METHODS FOR THE IDENTIFICATION, EVALUATION AND TREATMENT OF PATIENTS HAVING MULTIPLE MYELOMA TAKEDA PHARMACEUTICALS CO (JP) 2023-09-27 EP disclosed
EP-2877176-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PF MEDICAMENT (FR) 2017-04-26 EP disclosed
EP-2877177-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PF MEDICAMENT (FR) 2016-10-26 EP disclosed
US-9428510-B2 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing Trk PIERRE FABRE MEDICAMENT (FR) 2016-08-30 US disclosed
US-9381195-B2 Derivatives of azaindazole or diazaindazole type for treating pain PIERRE FABRE MEDICAMENT (FR) 2016-07-05 US disclosed
US-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk PIERRE FABRE MEDICAMENT (FR) 2015-09-24 US disclosed
WO-2015134366-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-11 WO disclosed
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2015-07-09 US disclosed
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 US disclosed
EP-2689779-A1 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing trk PIERRE FABRE MEDICAMENT (FR) 2014-01-29 EP disclosed
EP-2689778-A1 Derivatives of azaindoles or diazaindoles for treating pain PIERRE FABRE MEDICAMENT (FR) 2014-01-29 EP disclosed
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-04-04 US disclosed
US-8084644-B2 Agricultural pesticide; Wide variety of compounds, for example phenyl N-phenyl-3-(phenylthio)thioacrylimidate; formula X-CH=CH-C(-Y)=N-Z where X, Y and Z are variable SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
US-8084644-B2 Agricultural pesticide; Wide variety of compounds, for example phenyl N-phenyl-3-(phenylthio)thioacrylimidate; formula X-CH=CH-C(-Y)=N-Z where X, Y and Z are variable SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-27 US disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 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 (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-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk TTK, NTRK1, NTRK3 ITGB2 2455/4885ICAM1 4779/4885ITGAL 3625/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 ITGB2 3380/4885ICAM1 1990/4885ITGAL 3551/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR ITGB2 3133/4885ICAM1 3138/4885ITGAL 3426/4885

“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.