SCHEMBL20987652

SCHEMBL20987652

CC(C)Cc1ccc(-c2cnn(C)n2)nc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
AOC3 Q16853 2/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
KIT P10721 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CPA1 P15085 1/20 0.30
CPB1 P15086 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL25636541 0.83 CCR1 (0.41) S1PR1S1PR3GABRA1GABRB2CPB2
SCHEMBL14754879 0.82 NPC1 (0.43) AOC3CYP11B1CYP11B2CHRM2CHRM3
SCHEMBL28956571 0.81 AOC3 (0.39) AOC3CYP11B1CYP11B2CHRM2CHRM3
SCHEMBL19245814 0.76 CHRM2 (0.35) AOC3CYP11B1CYP11B2CHRM2CHRM3
SCHEMBL19661516 0.73 CHRM2 (0.33) AOC3CYP11B1CYP11B2CHRM2CHRM3
SCHEMBL17297340 0.73 CCR1 (0.61) AOC3CHRM2CHRM3
SCHEMBL10130824 0.72 KDM4E (0.48) CYP11B1CYP11B2
SCHEMBL14762040 0.72 AOC3 (0.37) AOC3CYP11B1CHRM2CHRM3
Ammonia Solution, Strong SCHEMBL28956572 0.71 CCR1 (0.59) AOC3CHRM2CHRM3
SCHEMBL13429906 0.71 CHRM2 (0.37) AOC3CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2019-05-09 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-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB S1PR1 1842/4885S1PR3 1805/4885AOC3 2862/4885

“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.