SCHEMBL12371641

SCHEMBL12371641

O=c1[nH]c2cnc(NCC3CCNC3)nc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.41
PRKCQ Q04759 1/20 0.41
ADORA2A P29274 1/20 0.40
EPHX2 P34913 4/20 0.39
PPARG P37231 2/20 0.39
KDM1A O60341 1/20 0.38
FLT3 P36888 2/20 0.37
DPP4 P27487 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRM1 P11229 1/20 0.37
PTPN11 Q06124 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
MAP4K1 Q92918 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
SCHEMBL12371657 1.00 CHEK1 (0.41) CHEK1PRKCQADORA2AEPHX2PPARG
SCHEMBL12371650 1.00 CHEK1 (0.41) CHEK1PRKCQADORA2AEPHX2PPARG
SCHEMBL12371680 0.95 CHEK1 (0.42) CHEK1PRKCQADORA2AEPHX2PPARG
SCHEMBL12371683 0.95 CHEK1 (0.42) CHEK1PRKCQADORA2AEPHX2PPARG
SCHEMBL12371687 0.95 PRKCQ (0.44) CHEK1PRKCQADORA2AEPHX2PPARG
SCHEMBL12371780 0.93 EPHX2 (0.43) PRKCQADORA2AEPHX2PPARGDPP4
SCHEMBL12371681 0.89 CHEK1 (0.41) CHEK1KDM1AFLT3DPP4SLC6A2
SCHEMBL12371637 0.89 CHEK1 (0.41) CHEK1KDM1AFLT3DPP4SLC6A2
SCHEMBL12371642 0.89 CHEK1 (0.41) CHEK1KDM1AFLT3DPP4SLC6A2
SCHEMBL12371698 0.89 JAK2 (0.41) PRKCQADORA2AKDM1A

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 5 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
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
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 CHEK1 520/4885PRKCQ 3/4885ADORA2A 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.