SCHEMBL12371751

SCHEMBL12371751

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
USP1 O94782 12/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 4/20 0.36
SRC P12931 2/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPK14 Q16539 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
SCHEMBL12371717 0.85 ALDH1A1 (0.41) JAK2JAK3ADORA3USP1LMNA
SCHEMBL12371732 0.81 ADORA2A (0.42) JAK2JAK3ADORA3USP1SRC
SCHEMBL12371744 0.78 JAK2 (0.42) JAK2JAK3ADORA3USP1
SCHEMBL2270517 0.78 JAK2 (0.47) JAK2JAK3ADORA3USP1SRC
SCHEMBL12397531 0.77 KDM1A (0.43) JAK2JAK3ADORA3USP1
SCHEMBL12371719 0.77 JAK2 (0.39) JAK2JAK3ADORA3USP1
SCHEMBL13608332 0.77 JAK2 (0.46) JAK2JAK3ADORA3USP1SRC
SCHEMBL12371800 0.76 BRD4 (0.42) JAK2JAK3ADORA3USP1
SCHEMBL13608405 0.75 USP1 (0.43) ADORA3USP1
SCHEMBL12371769 0.75 JAK2 (0.39) JAK2JAK3ADORA3USP1SRC

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 719/4885ADORA3 1163/4885

“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.