SCHEMBL12371692

SCHEMBL12371692

O=c1[nH]c2cnc(NCC3CCNCC3)nc2n1Cc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
IGF1R P08069 1/20 0.39
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 6/20 0.38
ADORA3 P0DMS8 1/20 0.37
KHK P50053 1/20 0.37
VCP P55072 1/20 0.37
DPP4 P27487 1/20 0.36
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

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
SCHEMBL13608277 0.95 KDM1A (0.39) PRKCQCYP2C9CYP3A4IGF1RUSP1
SCHEMBL12371636 0.95 KDM1A (0.39) PRKCQCYP2C9CYP3A4IGF1RUSP1
SCHEMBL12371679 0.89 USP1 (0.39) PRKCQUSP1ADORA3DPP4MERTK
SCHEMBL12400577 0.89 CYP3A4 (0.41) PRKCQCYP2C9CYP3A4CCNE2CCNA2
SCHEMBL12371700 0.89 CYP2C9 (0.54) PRKCQCYP2C9CYP3A4CCNE2CCNA2
SCHEMBL12371750 0.89 RIPK2 (0.42) PRKCQCYP2C9CYP3A4CCNE2CCNA2
SCHEMBL12371725 0.86 MTOR (0.49) PRKCQCYP2C9CYP3A4
SCHEMBL12371687 0.86 PRKCQ (0.44) PRKCQCYP2C9CYP3A4CCNE2CCNA2
SCHEMBL13608249 0.86 BRD4 (0.38) USP1ADORA3
SCHEMBL13620400 0.84 PRKCQ (0.46) PRKCQCYP2C9CYP3A4USP1DPP4

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 3 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
WO-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 WO 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 PRKCQ 3/4885CYP2C9 2464/4885CYP3A4 2523/4885

“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.