SCHEMBL2220636

SCHEMBL2220636

Cn1cc(-n2ccc(=O)c(Cc3cccc(N(CCN4CCCC4=O)C(=O)O)c3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
ENPP2 Q13822 1/20 0.34
IRAK4 Q9NWZ3 4/20 0.34
FGFR1 P11362 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR4 P22455 2/20 0.34
FGFR3 P22607 2/20 0.34
KDR P35968 2/20 0.34
IRAK1 P51617 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 0.33
DNMT3B Q9UBC3 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2262181 0.89 EPHX2 (0.33) ENPP2
SCHEMBL2362782 0.87 MEN1 (0.38) ALDH1A1POLBKDM4CCYP1A2CYP3A4
SCHEMBL2272785 0.87 ENPP2 (0.35) ALDH1A1ENPP2FGFR1FGFR2FGFR4
SCHEMBL2221804 0.87 ENPP2 (0.35) ALDH1A1ENPP2FGFR1FGFR3CYP2C9
SCHEMBL13274524 0.87 GPR52 (0.38) ALDH1A1POLBKDM4CCYP1A2CYP3A4
SCHEMBL2362780 0.86 OPRM1 (0.36) ENPP2
SCHEMBL2334239 0.86 ENPP2 (0.34) ENPP2FGFR1FGFR3CYP2C9
SCHEMBL13275446 0.85 RAB9A (0.37) ALDH1A1ENPP2CYP2C9SMN1; SMN2TSHR
SCHEMBL2221942 0.85 ENPP2 (0.35) ALDH1A1ENPP2FGFR1FGFR3CYP2C9
SCHEMBL13275099 0.85 CASR (0.36) POLBSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 ALDH1A1 1673/4885POLB 1954/4885KDM4C 992/4885

“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.