SCHEMBL12371758

SCHEMBL12371758

CN1CCCC1CCNc1ncc2[nH]c(=O)n(Cc3ccccc3Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRB P10828 1/20 0.42
DPP4 P27487 3/20 0.42
HTR3A P46098 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
USP1 O94782 5/20 0.40
NMT1 P30419 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACP1 P24666 1/20 0.38

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
SCHEMBL12371791 0.90 HTR3A (0.41) ALDH1A1DPP4HTR3AUSP1NMT1
SCHEMBL12371769 0.88 JAK2 (0.39) USP1NMT1ADORA3ACP1
SCHEMBL12371781 0.82 HTR3A (0.40) CACNA1GALDH1A1TSHRHSD17B10THRB
SCHEMBL12371789 0.81 CACNA1G (0.49) CACNA1GALDH1A1TSHRHSD17B10THRB
SCHEMBL12371706 0.80 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10THRBDPP4
SCHEMBL12371797 0.80 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10HTR3AUSP1
SCHEMBL12371731 0.80 USP1 (0.44) ALDH1A1TSHRHSD17B10USP1ADORA2A
SCHEMBL12371766 0.79 ADORA2A (0.50) ALDH1A1TSHRHSD17B10THRBDPP4
SCHEMBL12371660 0.79 PRKCQ (0.46) ALDH1A1TSHRUSP1ADORA3MAPT
SCHEMBL12371726 0.78 USP1 (0.44) ALDH1A1HTTUSP1ADORA3MAPT

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 CACNA1G 2083/4885ALDH1A1 2893/4885TSHR 3678/4885

“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.