SCHEMBL5954550

SCHEMBL5954550

O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ccn[nH]5)cn34)ccc2n1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
LRRK2 Q5S007 2/20 0.47
ADORA2B P29275 1/20 0.42
CSNK1D P48730 9/20 0.41
CSNK1E P49674 9/20 0.41
KDR P35968 2/20 0.39
MAP4K1 Q92918 3/20 0.38
NT5E P21589 1/20 0.37
OTUD7B Q6GQQ9 1/20 0.37

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
SCHEMBL5954581 0.86 CSNK1D (0.40) CSNK1DCSNK1EKDRMAP4K1
SCHEMBL5954568 0.85 KDR (0.42) LRRK2CSNK1DCSNK1EKDRMAP4K1
SCHEMBL5955345 0.84 CSNK1D (0.41) CSNK1DCSNK1EKDR
SCHEMBL5955517 0.84 CSNK1D (0.43) CSNK1DCSNK1EKDR
SCHEMBL251717 0.83 CSNK1D (0.41) LRRK2CSNK1DCSNK1EKDR
SCHEMBL2747152 0.83 CSNK1D (0.41) CSNK1DCSNK1EKDRMAP4K1
SCHEMBL3397327 0.83 KDR (0.44) CSNK1DCSNK1EKDR
SCHEMBL5954869 0.83 KDR (0.48) CSNK1DCSNK1EKDR
SCHEMBL5954598 0.83 PIK3CA (0.45) CSNK1DCSNK1EKDR
SCHEMBL5955350 0.82 ADORA2A (0.42) ADORA2BCSNK1DCSNK1EKDR

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 ABL1 114/4885LRRK2 2105/4885ADORA2B 1850/4885

“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.