SCHEMBL12371773

SCHEMBL12371773

O=c1[nH]c2cnc(NCC3CCNC3)nc2n1[C@H]1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.46
JAK3 P52333 13/20 0.46
JAK1 P23458 8/20 0.46
CDK4 P11802 3/20 0.39
CDK6 Q00534 2/20 0.39
KDM1A O60341 1/20 0.39
TYK2 P29597 1/20 0.38
USP1 O94782 1/20 0.38
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
MARK3 P27448 1/20 0.34
MARK4 Q96L34 1/20 0.34

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
SCHEMBL12371710 1.00 JAK2 (0.46) JAK2JAK3JAK1CDK4CDK6
SCHEMBL12371742 1.00 JAK2 (0.46) JAK2JAK3JAK1CDK4CDK6
SCHEMBL12371745 1.00 JAK2 (0.46) JAK2JAK3JAK1CDK4CDK6
SCHEMBL13608449 1.00 JAK2 (0.46) JAK2JAK3JAK1CDK4CDK6
SCHEMBL12371733 1.00 JAK2 (0.46) JAK2JAK3JAK1CDK4CDK6
SCHEMBL13608444 0.95 JAK2 (0.44) JAK2JAK3JAK1CDK4CDK6
SCHEMBL12371793 0.95 JAK2 (0.47) JAK2JAK3JAK1CDK4CDK6
SCHEMBL13608426 0.86 JAK2 (0.42) JAK2JAK3JAK1CDK4CDK6
SCHEMBL13608448 0.86 JAK2 (0.42) JAK2JAK3JAK1CDK4CDK6
SCHEMBL13608308 0.85 JAK2 (0.44) JAK2JAK3JAK1CDK4CDK6

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 JAK2 735/4885JAK3 719/4885JAK1 645/4885

“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.