SCHEMBL12371690

SCHEMBL12371690

NCCCNc1ccc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.42
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
GPR18 Q14330 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
CCNT1 O60563 2/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
USP1 O94782 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
STK17A Q9UEE5 1/20 0.33
GRK5 P34947 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL12371753 0.88 BIRC2 (0.44) BIRC2GPR18TLR7
SCHEMBL2270517 0.83 JAK2 (0.47) JAK2JAK3TLR7FGFR1SRC
SCHEMBL13608332 0.81 JAK2 (0.46) JAK2JAK3TLR7FGFR1SRC
SCHEMBL12371651 0.78 JAK2 (0.45) JAK2JAK3TLR7FGFR1USP1
SCHEMBL14025152 0.78 JAK2 (0.46) BIRC2JAK2JAK3TLR7USP1
SCHEMBL13608166 0.77 TLR7 (0.50) TLR7
SCHEMBL2269372 0.76 BIRC2 (0.39) BIRC2JAK2JAK3CCNT1PIM1
SCHEMBL2274339 0.76 BIRC2 (0.39) BIRC2JAK2JAK3CCNT1PIM1
SCHEMBL2269378 0.76 BIRC2 (0.39) BIRC2JAK2JAK3CCNT1PIM1
SCHEMBL12371627 0.76 BIRC2 (0.42) BIRC2JAK2JAK3TLR7USP1

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 BIRC2 3863/4885JAK2 735/4885JAK3 719/4885

“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.