Sugi Predict

Sugi Predict / Compounds / SCHEMBL12371636

SCHEMBL12371636

SCHEMBL12371636

O=c1[nH]c2cnc(NCC3CCNC3)nc2n1Cc1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.39
▸ PRKCQ Q04759 2/20 0.39
▸ USP1 O94782 9/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ ATAD2 Q6PL18 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ IGF1R P08069 1/20 0.35

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
SCHEMBL13608277 1.00 KDM1A (0.39) KDM1APRKCQUSP1CYP2C9CYP3A4
SCHEMBL12371679 0.95 USP1 (0.39) KDM1APRKCQUSP1BRD4ATAD2
SCHEMBL12371692 0.95 PRKCQ (0.41) PRKCQUSP1CYP2C9CYP3A4ADORA3
SCHEMBL13608249 0.91 BRD4 (0.38) KDM1AUSP1BRD4ATAD2ADORA3
SCHEMBL13608215 0.89 KDM1A (0.39) KDM1APRKCQUSP1CYP2C9CYP3A4
SCHEMBL12371635 0.89 PRKCQ (0.48) KDM1APRKCQUSP1CYP2C9CYP3A4
SCHEMBL13608200 0.89 KDM1A (0.39) KDM1APRKCQUSP1CYP2C9CYP3A4
SCHEMBL13608122 0.89 BRD4 (0.42) KDM1APRKCQUSP1CYP2C9CYP3A4
SCHEMBL12399644 0.89 BRD4 (0.42) KDM1APRKCQUSP1CYP2C9CYP3A4
SCHEMBL12371698 0.89 JAK2 (0.41) KDM1APRKCQUSP1CYP2C9CYP3A4

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 5 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
WO-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 — — WO 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 KDM1A 1218/4885PRKCQ 3/4885USP1 3620/4885

“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.