SCHEMBL19087056

SCHEMBL19087056

Cc1cncc(NC(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.64
KCNH2 Q12809 1/20 0.64
CYP11B1 P15538 1/20 0.63
CYP11B2 P19099 1/20 0.63
SCN2A Q99250 1/20 0.55
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
MLYCD O95822 1/20 0.50
CYP2C9 P11712 1/20 0.49
BRAF P15056 1/20 0.49
GRM5 P41594 3/20 0.49
MAPT P10636 1/20 0.49
GSK3B P49841 1/20 0.49
NAMPT P43490 3/20 0.49
ESR1 P03372 1/20 0.48
ROCK2 O75116 1/20 0.47

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
SCHEMBL19087022 0.85 GRM5 (0.67) SCN10AKCNH2MEN1KMT2ACYP2C9
SCHEMBL13719442 0.84 SCN10A (0.67) SCN10AKCNH2CYP11B1CYP11B2SCN2A
SCHEMBL19117103 0.83 CYP11B1 (0.59) SCN10AKCNH2CYP11B1CYP11B2ALDH1A1
SCHEMBL19087054 0.83 CYP11B1 (0.59) SCN10AKCNH2CYP11B1CYP11B2SCN2A
SCHEMBL29151266 0.81 LMNA (0.57) SCN10AALDH1A1PKMMEN1NPC1
SCHEMBL30354974 0.81 LMNA (0.57) SCN10AALDH1A1PKMMEN1NPC1
SCHEMBL19087168 0.81 SCN10A (0.61) SCN10ACYP11B1CYP11B2SCN2AMEN1
SCHEMBL19087072 0.81 BCAT2 (0.63) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL259705 0.80 MEN1 (0.65) SCN10AKCNH2CYP11B1CYP11B2ALDH1A1
SCHEMBL24130057 0.80 KCNJ11 (0.47) SCN10AKCNH2CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3792256-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2021-03-17 EP disclosed
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 EP disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 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-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB SCN10A 1390/4885KCNH2 2582/4885CYP11B1 1760/4885

“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.