SCHEMBL2274362

SCHEMBL2274362

O=[N+]([O-])c1cnc(Cl)nc1NCc1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 0.58
PRKCQ Q04759 12/20 0.55
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2D6 P10635 2/20 0.47
DCLK1 O15075 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
MATK P42679 1/20 0.47
FRK P42685 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
RPS6KA3 P51812 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL1266942 0.88 PRKCQ (0.57) PIN1PRKCQ
SCHEMBL3971786 0.84 PIN1 (0.65) PIN1PRKCQ
SCHEMBL2272150 0.81 MAPT (0.60) PRKCQCYP3A4CYP2C9CYP2D6DCLK1
SCHEMBL3847319 0.81 PRKCQ (0.60) PIN1PRKCQCYP3A4CYP2C9CYP2D6
SCHEMBL1917607 0.81 PIN1 (0.57) PIN1PRKCQCYP3A4CYP2C9CYP2D6
SCHEMBL29250559 0.80 PIN1 (0.45) PIN1PRKCQCYP3A4CYP2D6
SCHEMBL30584619 0.80 PIN1 (0.45) PIN1PRKCQCYP3A4CYP2D6
SCHEMBL3854087 0.80 PRKCQ (0.54) PIN1PRKCQ
SCHEMBL1265338 0.80 PIN1 (0.53) PIN1PRKCQCDK5
SCHEMBL2277899 0.80 PRKCQ (0.53) PIN1PRKCQCYP3A4CYP2C9CYP2D6

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 9 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-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
EP-2152708-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS Pharmacopeia, LLC (US) 2010-02-17 EP disclosed
WO-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 WO 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
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 PIN1 1738/4885PRKCQ 3/4885CYP3A4 2523/4885

“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.