SCHEMBL19087022

SCHEMBL19087022

Cc1cncc(NC(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.67
BRAF P15056 2/20 0.61
CYP2C9 P11712 1/20 0.57
KCNH2 Q12809 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.54
THRB P10828 1/20 0.51
TAS2R8 Q9NYW2 1/20 0.51
P2RY2 P41231 1/20 0.50
GPR17 Q13304 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL19087056 0.85 SCN10A (0.64) GRM5BRAFCYP2C9KCNH2SCN10A
SCHEMBL19077878 0.84 GRM5 (0.63) GRM5BRAF
SCHEMBL19116494 0.84 GRM5 (0.66) GRM5BRAFTAS2R8
SCHEMBL27383419 0.82 NPC1 (0.63) GRM5BRAFTHRBP2RY2GPR17
SCHEMBL15847396 0.82 BRAF (0.77) GRM5BRAF
SCHEMBL19087072 0.81 BCAT2 (0.63) THRBMEN1KMT2ARXFP1
SCHEMBL6926658 0.80 GRM5 (1.00) GRM5BRAF
SCHEMBL19087055 0.80 GRM5 (0.65) GRM5BRAFTHRBMEN1KMT2A
SCHEMBL12416743 0.80 GRM5 (1.00) GRM5
SCHEMBL5471414 0.80 NT5E (0.62) GRM5BRAF

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 GRM5 1218/4885BRAF 71/4885CYP2C9 2007/4885

“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.