SCHEMBL25140277

SCHEMBL25140277

CSc1nc(NCc2nc(-c3ccccc3)n[nH]2)n2ncc(C3CC3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.39
▸ GRK2 P25098 8/20 0.39
▸ PDE8B O95263 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL23508053 0.84 SRC (0.35) CDK2CDK9SRC
SCHEMBL25140326 0.84 ROCK2 (0.38) ROCK2GRK2PDE8BNR1H2NR1H3
SCHEMBL23508081 0.80 IDO1 (0.40) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL14194730 0.77 GSK3B (0.48) CDK2PDE10A
SCHEMBL17690298 0.76 CDK2 (0.37) CDK2CDK9SRC
SCHEMBL23497421 0.75 CSNK1D (0.35) CDK2CDK9SRC
SCHEMBL14194748 0.75 CDK2 (0.44) CDK2CDK9SRC
SCHEMBL30013276 0.74 PRCP (0.31) SMN1; SMN2
SCHEMBL23497504 0.74 PRCP (0.31) SMN1; SMN2
SCHEMBL23508097 0.74 CACNA1H (0.39) CDK2CDK9PDE10A

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-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 — — 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-20230117034-A1 PYRAZOLOTRIAZINES BRCA1, TPX2, CCND2 ROCK2 2201/4885GRK2 1617/4885PDE8B 2337/4885

“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.

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