SCHEMBL12371800

SCHEMBL12371800

Cc1cccc(Cl)c1Cn1c(=O)[nH]c2cnc(NCC3CCCNC3)nc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
ATAD2 Q6PL18 2/20 0.42
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
TPSAB1 Q15661 1/20 0.39
USP1 O94782 4/20 0.39
KDM1A O60341 1/20 0.38
CCNT1 O60563 4/20 0.38
JAK1 P23458 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHEK1 O14757 1/20 0.36
MERTK Q12866 1/20 0.36
CDK9 P50750 1/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 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
SCHEMBL12397531 0.95 KDM1A (0.43) BRD4ATAD2JAK2JAK3USP1
SCHEMBL12371677 0.94 JAK2 (0.44) BRD4ATAD2JAK2JAK3TPSAB1
SCHEMBL12371674 0.94 JAK2 (0.44) BRD4ATAD2JAK2JAK3TPSAB1
SCHEMBL12397553 0.90 JAK2 (0.41) BRD4ATAD2JAK2JAK3TPSAB1
SCHEMBL12371640 0.89 KDM1A (0.46) BRD4ATAD2JAK2JAK3USP1
SCHEMBL12371656 0.89 KDM1A (0.46) BRD4ATAD2JAK2JAK3USP1
SCHEMBL12371633 0.89 KDM1A (0.46) BRD4ATAD2JAK2JAK3USP1
SCHEMBL13608394 0.87 BRD4 (0.44) BRD4ATAD2TPSAB1USP1ADORA3
SCHEMBL13608319 0.87 BRD4 (0.44) BRD4ATAD2TPSAB1USP1ADORA3
SCHEMBL12371697 0.87 PRKCQ (0.43) BRD4ATAD2JAK2JAK3USP1

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 BRD4 1476/4885ATAD2 3472/4885JAK2 735/4885

“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.