SCHEMBL15134221

SCHEMBL15134221

Cn1cncc1CNc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.46
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
CACNA1B Q00975 1/20 0.42
CYP19A1 P11511 1/20 0.41
FNTA P49354 4/20 0.41
FNTB P49356 4/20 0.41
PGGT1B P53609 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
SCHEMBL17295517 0.82 IDH1 (0.43) MAP3K8CYP11B1CYP11B2FNTAFNTB
SCHEMBL7049602 0.81 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL17295201 0.80 MAP3K8 (0.49) MAP3K8
SCHEMBL17295270 0.75 KDM4E (0.40) CYP11B2CACNA1B
SCHEMBL7572173 0.73 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL15133290 0.72 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL46652 0.71
SCHEMBL3638724 0.71 FRK (0.44) MAP3K8
SCHEMBL7572286 0.71 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL7446567 0.71 TRPM5 (0.51) CYP11B1CYP11B2CACNA1BCYP19A1

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-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I YALE UNIVERSITY (US) 2013-07-25 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-20130190355-A1 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I FNTA, FNTB, GDI1 MAP3K8 2802/4885CYP11B1 3329/4885CYP11B2 3876/4885

“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.