SCHEMBL12908954

SCHEMBL12908954

Oc1cc(Cl)cc(Nc2ncnc3sc4c(c23)CCNC4)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.56
MET P08581 1/20 0.55
EGFR P00533 3/20 0.52
MKNK1 Q9BUB5 6/20 0.52
TNNI3K Q59H18 3/20 0.49
LMNA P02545 1/20 0.48
FGFR1 P11362 2/20 0.47
MKNK2 Q9HBH9 1/20 0.46
MAPK1 P28482 2/20 0.45
RAF1 P04049 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MAP2K1 Q02750 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44

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
Hydrochloric Acid SCHEMBL938925 0.99 KDR (0.55) KDRMETEGFRMKNK1TNNI3K
SCHEMBL12908963 0.84 KDR (0.57) KDRMETEGFRMKNK1TNNI3K
SCHEMBL938262 0.84 FGFR1 (0.64) KDRMETEGFRMKNK1TNNI3K
Hydrochloric Acid SCHEMBL938228 0.84 KDR (0.56) KDRMETEGFRMKNK1TNNI3K
SCHEMBL938557 0.81 KDR (0.65) KDRMETEGFRMKNK1TNNI3K
SCHEMBL12908964 0.80 KDR (0.57) KDRMETEGFRMKNK1TNNI3K
SCHEMBL938202 0.80 EGFR (0.74) KDRMETEGFRMKNK1TNNI3K
Hydrochloric Acid SCHEMBL939888 0.80 KDR (0.56) KDRMETEGFRMKNK1TNNI3K
SCHEMBL12944795 0.76 MAPT (0.62) KDRMETEGFRMKNK1TNNI3K
SCHEMBL12908970 0.75 MKNK1 (0.54) KDRMETEGFRMKNK1TNNI3K

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
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 KDR 4233/4885MET 3181/4885EGFR 1771/4885

“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.