SCHEMBL9949281

SCHEMBL9949281

Nc1cc(-c2cnccn2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
ALOX5AP P20292 4/20 0.42
FEN1 P39748 4/20 0.42
CCNT1 O60563 1/20 0.38
NPY5R Q15761 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
GAA P10253 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL15880712 0.81 NPY5R (0.39) HSP90AA1ALOX5APFEN1NPY5RNPC1
SCHEMBL9950802 0.77 CDK2 (0.47) ALOX5APFEN1CCNT1PIK3CDPIK3CA
SCHEMBL1462979 0.76 CYP2A6 (0.49) HSP90AA1NPY5RADORA2A
SCHEMBL9949278 0.76 ADORA3 (0.50) PIM2
SCHEMBL5240439 0.75 NPC1 (0.37) HSP90AA1ALOX5APFEN1NPY5RNPC1
SCHEMBL30296526 0.75 ALOX5AP (0.43) HSP90AA1ALOX5APFEN1NPY5RNPC1
SCHEMBL5243501 0.74 NPC1 (0.45) HSP90AA1ALOX5APFEN1NPY5RNPC1
SCHEMBL3948151 0.73 IDO1 (0.50) NPY5RNPC1RAB9AADORA2APKM
SCHEMBL30767271 0.73 IDO1 (0.50) NPY5RNPC1RAB9AADORA2APKM
SCHEMBL9930223 0.70 FGFR1 (0.51) ALOX5APFEN1ADORA2ACDK9FGFR1

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-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI HSP90AA1 2459/4885ALOX5AP 2753/4885FEN1 2061/4885

“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.