SCHEMBL5954577

SCHEMBL5954577

COCCOCn1cc(-c2ccc3nnc(Cc4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.39
CSNK1D P48730 8/20 0.38
CSNK1E P49674 8/20 0.38
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
WNT1 P04628 2/20 0.38
JAK1 P23458 1/20 0.37
PIK3CA P42336 1/20 0.36
MET P08581 1/20 0.36
TYK2 P29597 1/20 0.35

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
SCHEMBL5954813 0.92 GSK3B (0.42) KDRCSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL5954455 0.87 IGF1R (0.36) KDRCSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL5955483 0.86 CSNK1D (0.41) KDRCSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL252697 0.86 KDR (0.39) KDRCSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL5954582 0.86 GSK3B (0.48) CSNK1DCSNK1EGSK3BDYRK1AWNT1
SCHEMBL5955500 0.85 CSNK1D (0.38) KDRCSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL5955361 0.85 CCNC (0.44) KDRCSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL5955316 0.85 GSK3B (0.39) KDRCSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL5954459 0.82 CSNK1D (0.37) KDRCSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL5955181 0.81 KDR (0.39) KDRCSNK1DCSNK1EGSK3BDYRK1A

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 4 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-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
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 KDR 1387/4885CSNK1D 225/4885CSNK1E 119/4885

“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.