SCHEMBL4115186

SCHEMBL4115186

Cc1c(C(=O)O)cn2ncnc(C3C(=O)Nc4cc(S(C)(=O)=O)ccc43)c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.33
LMNA P02545 1/20 0.33
MAPK14 Q16539 7/20 0.33
EGLN1 Q9GZT9 1/20 0.32
FGFR1 P11362 1/20 0.31
MAPK11 Q15759 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL4047091 0.90 KDR (0.44) KDRMAPK14
SCHEMBL1462071 0.83 MAPK14 (0.38) KDRMAPK14MAPK11
SCHEMBL4111465 0.83 MAPK14 (0.36) KDRLMNAMAPK14
SCHEMBL5738802 0.83 KDR (0.32) KDRMAPK14FGFR1
SCHEMBL1459902 0.76 KDR (0.46) KDRMAPK14
SCHEMBL14452005 0.76 MAPK14 (0.52) KDRMAPK14
SCHEMBL1459917 0.75 MAPK14 (0.39) KDRMAPK14MAPK11
SCHEMBL4053344 0.75 MAPK14 (0.42) KDRMAPK14
SCHEMBL14469944 0.75 MAPK14 (0.42) KDRMAPK14
SCHEMBL14469831 0.74 MAPK14 (0.42) KDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US 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-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 KDR 3537/4885LMNA 2288/4885MAPK14 29/4885

“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.