SCHEMBL5953672

SCHEMBL5953672

CB(O)Nc1cn2nc(Sc3nnc4ccc(Cl)cn34)ccc2n1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5954339 0.85 KDM4E (0.38) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3394855 0.82 KDM4E (0.30) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2746651 0.79 MAP3K5 (0.37)
SCHEMBL252254 0.79 KDR (0.43)
SCHEMBL2746971 0.78 ALDH1A1 (0.34) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL251983 0.69 KDR (0.43)
SCHEMBL3405758 0.68 RAB9A (0.35) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5954348 0.68 PDGFRB (0.31)
SCHEMBL5955024 0.67 KDR (0.44)
SCHEMBL253680 0.67 CSNK1D (0.44) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 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-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT KDM4E 664/4885NPC1 313/4885ALDH1A1 3166/4885

“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.