SCHEMBL19087150

SCHEMBL19087150

CCc1cncc(N2CCN(C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
KDM4E B2RXH2 1/20 0.45
HRH4 Q9H3N8 2/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HTR3A P46098 1/20 0.43
AGXT P21549 1/20 0.42
CYP11B2 P19099 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
KHK P50053 1/20 0.41
CHEK1 O14757 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL17828140 0.86 CHRNB2 (0.44) NOS3NOS1
SCHEMBL17828135 0.86 CHRNB2 (0.44) NOS3NOS1
SCHEMBL19703396 0.82 TGFBR1 (0.40) NOS3NOS1KDM4E
SCHEMBL14642794 0.81 CHRNB2 (0.58)
SCHEMBL19116555 0.81 NOS3 (0.55) NOS3NOS1KDM4EAGXTCYP11B2
SCHEMBL23432683 0.81 NOS3 (0.50) NOS3NOS1HRH4HTR3AAGXT
SCHEMBL990018 0.80 NOS3 (0.49) NOS3NOS1CYP11B2CHEK1
SCHEMBL990623 0.79 NOS3 (0.51) NOS3NOS1AGXTCYP11B2CHEK1
SCHEMBL27453362 0.78 NOS3 (0.51) NOS3NOS1HRH4
SCHEMBL27455488 0.77 NOS3 (0.50) NOS3NOS1HRH4

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-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 NOS3 1659/4885NOS1 2077/4885KDM4E 2506/4885

“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.