SCHEMBL7571265

SCHEMBL7571265

Cn1cncc1C(=O)c1ccc(C#N)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.44
FNTB P49356 7/20 0.44
PGGT1B P53609 7/20 0.44
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
AR P10275 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
VNN1 O95497 1/20 0.33

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
SCHEMBL15201578 0.85 FNTA (0.44) FNTAFNTBPGGT1BS1PR1S1PR3
SCHEMBL7221989 0.85 CYP11B2 (0.46) FNTAFNTBPGGT1BS1PR1S1PR3
SCHEMBL15201291 0.82 VNN1 (0.47) FNTAFNTBPGGT1BS1PR1S1PR3
SCHEMBL7572471 0.80 FNTA (0.54) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7569980 0.79 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL5088981 0.78 CYP11B1 (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL15201791 0.76 VNN1 (0.46) VNN1
SCHEMBL7593867 0.76 RBP4 (0.43) FNTAFNTBPGGT1B
SCHEMBL15201717 0.76 LMNA (0.49) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL7182213 0.75 FNTA (0.57) FNTAFNTBPGGT1BALDH1A1

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
EP-2814814-B1 IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-08 EP claimed
US-9464058-B2 Imidazolylketone derivatives HOFFMANN-LA ROCHE INC. (US) 2016-10-11 US claimed
EP-2814814-B1 IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
US-9464058-B2 Imidazolylketone derivatives HOFFMANN-LA ROCHE INC. (US) 2016-10-11 US disclosed
US-20140128429-A1 NEW IMIDAZOLYLKETONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2014-05-08 US disclosed
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 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 (2 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-20140128429-A1 NEW IMIDAZOLYLKETONE DERIVATIVES KCNK4, NEK5, FN3KRP FNTA 2919/4885FNTB 1814/4885PGGT1B 2921/4885
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors FNTA, FNTB, SLC10A1 FNTA 1/4885FNTB 2/4885PGGT1B 16/4885

“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.