SCHEMBL4462791

SCHEMBL4462791

O=C=Nc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 2/20 0.42
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.38
KDM1A O60341 1/20 0.38
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL30196175 1.00 KIF11 (0.45) KIF11MAPK1TDP1CYP3A4TRPA1
SCHEMBL29648906 0.85 MAPK1 (0.44) KIF11MAPK1TDP1CYP3A4TRPA1
SCHEMBL60206 0.85 MAPK1 (0.44) KIF11MAPK1TDP1CYP3A4TRPA1
SCHEMBL1555041 0.85 MAPK1 (0.47) KIF11MAPK1TDP1CYP3A4TRPA1
SCHEMBL1493109 0.81 CYP3A4 (0.55) KIF11MAPK1TDP1CYP3A4TRPA1
SCHEMBL13788639 0.81 KIF11 (0.41) KIF11TDP1CYP3A4KDM1ACYP11B1
SCHEMBL856525 0.80 MAPK1 (0.61) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL9859233 0.80 MAPK1 (0.43) KIF11MAPK1TDP1CYP3A4TRPA1
SCHEMBL7177146 0.79 MAPK1 (0.46) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29824353 0.78 MAPK1 (0.52) MAPK1TDP1CYP3A4TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067801-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed
US-4782091-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1988-11-01 US disclosed
US-4782090-A Benzoyl(thio)urea pesticides BAYER AKTIENGESELLSCHAFT (DE) 1988-11-01 US disclosed
EP-0268943-A1 Benzoyl(thio)ureas BAYER AG (DE) 1988-06-01 EP disclosed
EP-0268952-A1 Benzoyl(thio) ureas BAYER AG (DE) 1988-06-01 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KIF11 2343/4885MAPK1 212/4885TDP1 613/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KIF11 2243/4885MAPK1 436/4885TDP1 787/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KIF11 2343/4885MAPK1 212/4885TDP1 613/4885

“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.