SCHEMBL12371698

SCHEMBL12371698

O=c1[nH]c2cnc(NCC3CCNC3)nc2n1Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 0.41
KDM1A O60341 1/20 0.39
PRKCQ Q04759 2/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
USP1 O94782 4/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAT2A P31153 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 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
SCHEMBL12371653 0.90 ADORA2A (0.47) JAK2JAK3KDM1APRKCQADORA2A
SCHEMBL13608116 0.90 USP1 (0.40) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL13608122 0.89 BRD4 (0.42) KDM1APRKCQUSP1CYP3A4CYP2C9
SCHEMBL12371664 0.89 PRKCQ (0.48) JAK2JAK3KDM1APRKCQADORA2A
SCHEMBL13608277 0.89 KDM1A (0.39) KDM1APRKCQUSP1CYP3A4CYP2C9
SCHEMBL12371635 0.89 PRKCQ (0.48) JAK2JAK3KDM1APRKCQADORA2A
SCHEMBL12371647 0.89 PRKCQ (0.48) JAK2JAK3KDM1APRKCQADORA2A
SCHEMBL13608200 0.89 KDM1A (0.39) KDM1APRKCQUSP1ALDH1A1CYP3A4
SCHEMBL12399644 0.89 BRD4 (0.42) KDM1APRKCQUSP1CYP3A4CYP2C9
SCHEMBL13608215 0.89 KDM1A (0.39) KDM1APRKCQUSP1CYP3A4CYP2C9

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 719/4885KDM1A 1218/4885

“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.