SCHEMBL19087071

SCHEMBL19087071

CCc1ncc(Cc2ccccc2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.59
CAPN1 P07384 1/20 0.56
BRS3 P32247 6/20 0.49
TAAR1 Q96RJ0 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR1B P28222 2/20 0.44
MTOR P42345 1/20 0.44
PDE10A Q9Y233 1/20 0.44
HPGDS O60760 1/20 0.43
HRH1 P35367 1/20 0.41

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
SCHEMBL2626827 0.78 AOC3 (0.62) AOC3CAPN1BRS3TAAR1HRH3
SCHEMBL19077883 0.77 CAPN1 (0.63) AOC3CAPN1BRS3TAAR1HRH3
SCHEMBL7688678 0.75 HPGDS (0.50) AOC3CAPN1BRS3TAAR1HTR1B
SCHEMBL11552467 0.75 HPGDS (0.50) AOC3CAPN1BRS3TAAR1HRH3
SCHEMBL20900314 0.75 AOC3 (0.58) AOC3CAPN1BRS3TAAR1HRH3
SCHEMBL20900312 0.75 AOC3 (0.58) AOC3CAPN1BRS3TAAR1HRH3
SCHEMBL10565813 0.74 AOC3 (0.62) AOC3CAPN1BRS3TAAR1HRH3
SCHEMBL12598581 0.74 AOC3 (1.00) AOC3CAPN1BRS3TAAR1HRH3
SCHEMBL8957090 0.74 HRH1 (0.62) AOC3CAPN1BRS3TAAR1HTR1B
SCHEMBL12877777 0.73 GAA (0.47) TAAR1

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
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 AOC3 2890/4885CAPN1 4099/4885BRS3 3896/4885

“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.