SCHEMBL12400577

SCHEMBL12400577

Bc1ccccc1Cn1c(=O)[nH]c2cnc(NCC3CCNCC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PRKCQ Q04759 1/20 0.41
CCNE2 O96020 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
USP1 O94782 10/20 0.38
ADORA3 P0DMS8 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
TRIM58 Q8NG06 1/20 0.36

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
SCHEMBL12397341 0.89 USP1 (0.39) USP1ADORA3MERTKIRAK4
SCHEMBL12371700 0.89 CYP2C9 (0.54) CYP3A4CYP2C9PRKCQCCNE2CCNA2
SCHEMBL12371692 0.89 PRKCQ (0.41) CYP3A4CYP2C9PRKCQCCNE2CCNA2
SCHEMBL12371750 0.89 RIPK2 (0.42) CYP3A4CYP2C9PRKCQCCNE2CCNA2
SCHEMBL12371687 0.86 PRKCQ (0.44) CYP3A4CYP2C9PRKCQCCNE2CCNA2
SCHEMBL12371725 0.86 MTOR (0.49) CYP3A4CYP2C9PRKCQ
SCHEMBL13620400 0.84 PRKCQ (0.46) CYP3A4CYP2C9PRKCQUSP1FLT3
SCHEMBL13608215 0.84 KDM1A (0.39) CYP3A4CYP2C9PRKCQCCNE2CCNA2
SCHEMBL12371647 0.84 PRKCQ (0.48) CYP3A4CYP2C9PRKCQCDK2USP1
SCHEMBL12371635 0.84 PRKCQ (0.48) CYP3A4CYP2C9PRKCQCDK2USP1

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
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

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 CYP3A4 2523/4885CYP2C9 2464/4885PRKCQ 3/4885

“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.