Sugi Predict

Sugi Predict / Compounds / SCHEMBL15919258

SCHEMBL15919258

SCHEMBL15919258

O=C1NCCN1c1cc(-c2ccc(-c3ccc(F)cc3)cc2)nc2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 5/20 0.46
▸ CYP19A1 P11511 1/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ TDO2 P48775 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PRKCH P24723 2/20 0.39
▸ PRKCE Q02156 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ AOC2 O75106 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ PRKCB P05771 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ AOC3 Q16853 1/20 0.37

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
SCHEMBL15905250 0.85 AOC2 (0.42) LATS1CYP19A1PRKCHPRKCEALDH1A1
SCHEMBL15904904 0.81 CYP19A1 (0.41) LATS1CYP19A1ALDH1A1GAAAOC2
SCHEMBL15905158 0.78 NPC1 (0.43) LATS1CYP19A1ALDH1A1GAAAOC2
SCHEMBL4247635 0.73 ACHE (0.49) CYP19A1ALDH1A1GAACSNK2A2CSNK2B
SCHEMBL15919444 0.72 ALDH1A1 (0.47) CYP19A1ALDH1A1GAACSNK2A2CSNK2B
SCHEMBL15919273 0.72 ESR1 (0.47) CYP19A1ALDH1A1GAACSNK2A2CSNK2B
SCHEMBL14034409 0.71 MAPK14 (0.48) LATS1CYP19A1ALDH1A1GAACSNK2A2
SCHEMBL4857363 0.71 ALDH1A1 (0.48) CYP19A1ALDH1A1GAACSNK2A2CSNK2B
SCHEMBL4252230 0.70 ALDH1A1 (0.69) ALDH1A1GAACSNK2A2CSNK2B
SCHEMBL15905546 0.68 GAA (0.53) ALDH1A1GAATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US claimed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 — — 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO LATS1 3984/4885CYP19A1 898/4885ALOX5AP 2329/4885

“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.