SCHEMBL12371737

SCHEMBL12371737

NCCCNc1ncc2[nH]c(=O)n(Cc3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.48
BCDIN3D Q7Z5W3 1/20 0.45
GRIN1 Q05586 8/20 0.44
GRIN2B Q13224 8/20 0.44
USP1 O94782 1/20 0.43
CDK1 P06493 2/20 0.41
PRKCA P17252 2/20 0.41
ZAP70 P43403 2/20 0.41
CAMK1D Q8IU85 1/20 0.41
ADORA2B P29275 2/20 0.41
PRKCE Q02156 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
CTSC P53634 1/20 0.41

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
SCHEMBL14024101 0.90 GRIN1 (0.44) SYKBCDIN3DGRIN1GRIN2BUSP1
SCHEMBL13620065 0.86 TRAP1 (0.42) SYKUSP1
SCHEMBL13608343 0.86 LMNA (0.44) SYKUSP1
SCHEMBL12371709 0.86 ADORA3 (0.43) GRIN1GRIN2BUSP1
SCHEMBL12371765 0.85 ADORA3 (0.53) USP1
SCHEMBL13608406 0.85 ADORA3 (0.47) USP1
SCHEMBL13620239 0.85 TRAP1 (0.54) SYKUSP1ADORA2BCTSC
SCHEMBL12371729 0.84 ADORA3 (0.43) GRIN1GRIN2BUSP1
SCHEMBL12371666 0.83 JAK2 (0.44) SYKUSP1
SCHEMBL12371665 0.82 JAK2 (0.51) USP1

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 SYK 1151/4885BCDIN3D 351/4885GRIN1 542/4885

“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.