SCHEMBL4580535

SCHEMBL4580535

Cc1nc(-c2ccc(C#N)c(NC3CCOCC3)c2)n2c1C(=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 8/20 0.39
GRM2 Q14416 3/20 0.37
TTK P33981 1/20 0.36
TBK1 Q9UHD2 4/20 0.35
JAK2 O60674 1/20 0.35
IKBKE Q14164 3/20 0.34
CD38 P28907 1/20 0.34

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
SCHEMBL4582034 0.83 HSP90AA1 (0.48)
SCHEMBL4580999 0.77 CYP11B1 (0.46)
SCHEMBL4726605 0.73 PRKCQ (0.36) GRM2TBK1JAK2IKBKECD38
SCHEMBL4580799 0.72 GRM2 (0.38) FGFR4GRM2TBK1
SCHEMBL4579729 0.69 PRKCQ (0.38) TBK1CD38
SCHEMBL4580699 0.69 HSP90AA1 (0.40) GRM2TBK1IKBKECD38
SCHEMBL14177815 0.67 RORC (0.34)
SCHEMBL4581063 0.66 HSP90AA1 (0.41) FGFR4TTK
SCHEMBL4600194 0.65 HSP90AA1 (0.35) FGFR4TTKTBK1JAK2
SCHEMBL4580776 0.65 PRKCQ (0.43) GRM2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 FGFR4 262/4885GRM2 4616/4885TTK 4010/4885

“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.