SCHEMBL4580999

SCHEMBL4580999

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
KDM1A O60341 8/20 0.42
EGLN2 Q96KS0 3/20 0.42
PDE4A P27815 3/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL4580535 0.77 FGFR4 (0.39)
SCHEMBL4580915 0.76 EGLN2 (0.48) CYP11B1CYP11B2KDM1AEGLN2
SCHEMBL14177815 0.68 RORC (0.34) CYP11B2
SCHEMBL22035592 0.65 KDM1A (0.63) CYP11B1CYP11B2KDM1A
SCHEMBL4725235 0.65 KDM1A (0.42) CYP11B1CYP11B2KDM1AEGLN2PDE4A
SCHEMBL4578838 0.64 CYP11B1 (0.46) CYP11B1CYP11B2KDM1AEGLN2
SCHEMBL18297999 0.64 CYP11B2 (0.67) CYP11B1CYP11B2
SCHEMBL4580083 0.63 SMN1; SMN2 (0.32)
SCHEMBL9612021 0.62 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL12012339 0.62 CYP11B1 (0.66) CYP11B1CYP11B2

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 5 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
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
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 CYP11B1 380/4885CYP11B2 572/4885KDM1A 719/4885

“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.