SCHEMBL5333499

SCHEMBL5333499

Cc1cc2c(Cl)cncc2s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 14/20 0.53
SELE P16581 14/20 0.53
VCAM1 P19320 6/20 0.53
CDK8 P49336 7/20 0.33
PIM1 P11309 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP4K2 Q12851 1/20 0.33
CCNC P24863 6/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3708981 0.79 ICAM1 (0.56) ICAM1SELEVCAM1CDK8PIM1
SCHEMBL30744177 0.76 ICAM1 (0.57) ICAM1SELEVCAM1CDK8PIM1
SCHEMBL20319767 0.76 ALDH1A1 (0.32) ICAM1SELEVCAM1CDK8PIM1
SCHEMBL5334846 0.76 ICAM1 (0.34) ICAM1SELEVCAM1CDK8PIM1
SCHEMBL23093512 0.76 ICAM1 (0.57) ICAM1SELEVCAM1CDK8PIM1
SCHEMBL23109949 0.76 ICAM1 (0.49) ICAM1SELEVCAM1CDK8PIM1
SCHEMBL4885757 0.76 SELE (0.51) ICAM1SELEVCAM1CDK8PIM1
SCHEMBL5376106 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24845323 0.72 ICAM1 (0.45) ICAM1SELEVCAM1CDK8PIM1
SCHEMBL23522277 0.72 ICAM1 (0.53) ICAM1SELEVCAM1CDK8PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019018359-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY (US) 2019-01-24 WO disclosed
EP-3356330-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2018-08-08 EP disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO disclosed
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 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 (1 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX ICAM1 1970/4885SELE 1316/4885VCAM1 1837/4885

“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.