SCHEMBL12371687

SCHEMBL12371687

O=c1[nH]c2cnc(NCC3CCNCC3)nc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.44
FLT3 P36888 7/20 0.42
ADORA2A P29274 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 4/20 0.40
PPARG P37231 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHEK1 O14757 1/20 0.39
DPP4 P27487 1/20 0.38
ACHE P22303 1/20 0.38
CHRM1 P11229 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37

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
SCHEMBL12371641 0.95 CHEK1 (0.41) PRKCQFLT3ADORA2ATDP1EPHX2
SCHEMBL12371650 0.95 CHEK1 (0.41) PRKCQFLT3ADORA2ATDP1EPHX2
SCHEMBL12371657 0.95 CHEK1 (0.41) PRKCQFLT3ADORA2ATDP1EPHX2
SCHEMBL12371780 0.91 EPHX2 (0.43) PRKCQADORA2ATDP1EPHX2PPARG
SCHEMBL12371680 0.90 CHEK1 (0.42) PRKCQFLT3ADORA2AEPHX2PPARG
SCHEMBL12371683 0.90 CHEK1 (0.42) PRKCQFLT3ADORA2AEPHX2PPARG
SCHEMBL12371803 0.87 DPP4 (0.44) PRKCQADORA2AEPHX2PPARGCHEK1
SCHEMBL13620400 0.87 PRKCQ (0.46) PRKCQFLT3ADORA2ACYP3A4CYP2C9
SCHEMBL12371750 0.86 RIPK2 (0.42) PRKCQFLT3CYP3A4CYP2C9CCNE2
SCHEMBL12400577 0.86 CYP3A4 (0.41) PRKCQFLT3CYP3A4CYP2C9CCNE2

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 PRKCQ 3/4885FLT3 1201/4885ADORA2A 995/4885

“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.