SCHEMBL12371719

SCHEMBL12371719

Cc1cccc(Cl)c1Cn1c(=O)[nH]c2cnc(NCC3CCN(C)C3)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.39
JAK3 P52333 2/20 0.39
USP1 O94782 8/20 0.39
HRH4 Q9H3N8 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
RIPK2 O43353 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
JAK1 P23458 3/20 0.35
PRKDC P78527 1/20 0.35
FGFR1 P11362 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
SCHEMBL12371706 0.87 ALDH1A1 (0.42) USP1ADORA3ADORA2AADORA1
SCHEMBL12397531 0.87 KDM1A (0.43) JAK2JAK3USP1ADORA3ADORA2A
SCHEMBL12371800 0.85 BRD4 (0.42) JAK2JAK3USP1ADORA3ADORA2A
SCHEMBL13608338 0.82 TYRO3 (0.41) USP1CCNT1CDK9FGFR1
SCHEMBL12371699 0.82 JAK2 (0.46) JAK2JAK3USP1HRH4ADORA3
SCHEMBL12371769 0.81 JAK2 (0.39) JAK2JAK3USP1HRH4ADORA3
SCHEMBL12371747 0.81 DPP4 (0.40) JAK2JAK3USP1CCNT1JAK1
SCHEMBL12371656 0.80 KDM1A (0.46) JAK2JAK3USP1ADORA3ADORA2A
SCHEMBL12371640 0.80 KDM1A (0.46) JAK2JAK3USP1ADORA3ADORA2A
SCHEMBL12371633 0.80 KDM1A (0.46) JAK2JAK3USP1ADORA3ADORA2A

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 JAK2 735/4885JAK3 719/4885USP1 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.