SCHEMBL5954900

SCHEMBL5954900

[C-]#[N+]c1ccc(-c2ccc3nnc(C(C)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 12/20 0.43
CSNK1E P49674 12/20 0.43
RIPK1 Q13546 1/20 0.40
LRRK2 Q5S007 1/20 0.39
KDR P35968 4/20 0.38
JAK2 O60674 2/20 0.38
TYK2 P29597 2/20 0.38

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
SCHEMBL5954809 0.88 CSNK1D (0.42) CSNK1DCSNK1ERIPK1KDR
SCHEMBL251085 0.88 CSNK1D (0.54) CSNK1DCSNK1ERIPK1KDR
SCHEMBL250933 0.87 CSNK1D (0.43) CSNK1DCSNK1ERIPK1LRRK2KDR
SCHEMBL253475 0.87 CSNK1D (0.44) CSNK1DCSNK1ERIPK1LRRK2KDR
SCHEMBL253291 0.86 RIPK1 (0.49) CSNK1DCSNK1ERIPK1LRRK2KDR
SCHEMBL251901 0.85 CSNK1D (0.43) CSNK1DCSNK1ERIPK1LRRK2KDR
SCHEMBL252774 0.83 KDR (0.42) CSNK1DCSNK1ERIPK1LRRK2KDR
SCHEMBL252743 0.83 GSK3B (0.46) CSNK1DCSNK1E
SCHEMBL252764 0.83 JAK1 (0.51) CSNK1DCSNK1EKDRJAK2TYK2
SCHEMBL253082 0.83 CSNK1D (0.42) CSNK1DCSNK1ERIPK1KDRJAK2

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 CSNK1D 225/4885CSNK1E 119/4885RIPK1 2871/4885

“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.