SCHEMBL12371747

SCHEMBL12371747

CN1CCC(CNc2ncc3[nH]c(=O)n(Cc4ccc(F)cc4Cl)c3n2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
JAK2 O60674 3/20 0.40
JAK3 P52333 2/20 0.40
ACHE P22303 1/20 0.40
JAK1 P23458 2/20 0.39
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP1 O94782 3/20 0.38
P2RX7 Q99572 4/20 0.37
CCNT1 O60563 1/20 0.37
MAOB P27338 1/20 0.37
FGFR1 P11362 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
SCHEMBL12371706 0.88 ALDH1A1 (0.42) DPP4USP1
SCHEMBL13608338 0.87 TYRO3 (0.41) DPP4ACHEMAPK1USP1CCNT1
SCHEMBL12371714 0.86 KDM1A (0.43) JAK2JAK3ACHEJAK1MAPK1
SCHEMBL12371719 0.81 JAK2 (0.39) JAK2JAK3JAK1USP1CCNT1
SCHEMBL12371803 0.81 DPP4 (0.44) DPP4ACHEUSP1
SCHEMBL13608284 0.79 KDM1A (0.43) DPP4JAK2JAK3JAK1MAPK1
SCHEMBL13620270 0.78 MCHR1 (0.43) DPP4
SCHEMBL13608356 0.78 DDR1 (0.46)
SCHEMBL12371795 0.78 NMT2 (0.42) JAK2JAK3MAPK1NPSR1USP1
SCHEMBL13608341 0.77 KDM1A (0.44) JAK2JAK1NPSR1USP1MAOB

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 DPP4 3324/4885JAK2 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.