SCHEMBL14731287

SCHEMBL14731287

Cc1nc(-c2cccnc2)nc2ccc(-c3ccc(C#N)cc3)c(C=N)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.45
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ CYP11B1 P15538 4/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA5 P30532 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ NPY5R Q15761 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ CYP19A1 P11511 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
SCHEMBL14731298 0.90 CHRNB2 (0.47) CYP11B2ABCG2CYP11B1CYP17A1CHRNB2
SCHEMBL14731288 0.82 CHRNB2 (0.45) CYP11B2ABCG2CYP11B1CHRNB2CHRNA5
SCHEMBL14731283 0.81 PDE5A (0.40) CYP11B2ABCG2CYP11B1MAPK1KMT2A
SCHEMBL16186207 0.78 CYP11B2 (0.48) CYP11B2ABCG2CYP11B1CYP17A1GBA1
SCHEMBL19204125 0.75 CYP11B2 (0.47) CYP11B2ABCG2CYP11B1CYP17A1GBA1
SCHEMBL17214442 0.75 CYP11B2 (0.56) CYP11B2ABCG2CYP11B1CYP17A1GBA1
SCHEMBL14474593 0.74 CYP11B2 (0.49) CYP11B2ABCG2CYP11B1CYP17A1GBA1
SCHEMBL16184298 0.73 ABCG2 (0.51) CYP11B2ABCG2CYP11B1CYP17A1GBA1
SCHEMBL17214443 0.70 ABCG2 (0.56) CYP11B2ABCG2CYP11B1CYP17A1GBA1
SCHEMBL16183299 0.69 KCNA5 (0.57) GBA1MAPK1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — 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-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP11B2 3834/4885ABCG2 2822/4885CYP11B1 3667/4885

“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.

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