SCHEMBL12371715

SCHEMBL12371715

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.45
ADORA2B P29275 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
GRIN1 Q05586 11/20 0.40
GRIN2B Q13224 11/20 0.40
HTR6 P50406 1/20 0.40
PIM1 P11309 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MAP4K1 Q92918 1/20 0.39
TNIK Q9UKE5 1/20 0.38

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
SCHEMBL13608235 0.87 PRKCQ (0.40) USP1ADORA3HTR6
SCHEMBL12371689 0.87 HTR6 (0.47) USP1ADORA3GRIN1GRIN2BHTR6
SCHEMBL3845143 0.87 BRD4 (0.40) USP1ADORA3HTR6
SCHEMBL3845145 0.87 BRD4 (0.40) USP1ADORA3HTR6
SCHEMBL13620252 0.87 USP1 (0.39) USP1GRIN1GRIN2BADORA2AADORA1
SCHEMBL13608387 0.87 ADORA3 (0.48) USP1ADORA3HTR6
SCHEMBL13608315 0.86 ADORA3 (0.43) USP1ADORA3HTR6
SCHEMBL13620399 0.86 TRAP1 (0.47) USP1ADORA2BADORA3ADORA2AADORA1
SCHEMBL3847968 0.86 CDK9 (0.42) USP1ADORA2BADORA3GRIN1GRIN2B
SCHEMBL3847971 0.86 CDK9 (0.42) USP1ADORA2BADORA3GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 US disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 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-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PRKCE, PRKCH, PRKCQ USP1 3620/4885ADORA2B 1258/4885ADORA3 1163/4885

“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.