SCHEMBL12371638

SCHEMBL12371638

O=c1[nH]c2cnc(NCC3CCNC3)nc2n1Cc1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
KDM1A O60341 1/20 0.43
JAK2 O60674 5/20 0.41
JAK3 P52333 5/20 0.41
USP1 O94782 4/20 0.39
PRKCQ Q04759 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CDK9 P50750 1/20 0.36
CCNT1 O60563 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
JAK1 P23458 1/20 0.35
ACHE P22303 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
SCHEMBL13608275 1.00 ADORA2A (0.45) ADORA2AADORA1KDM1AJAK2JAK3
SCHEMBL12371653 0.94 ADORA2A (0.47) ADORA2AADORA1KDM1AJAK2JAK3
SCHEMBL12371656 0.94 KDM1A (0.46) ADORA2AADORA1KDM1AJAK2JAK3
SCHEMBL12371633 0.94 KDM1A (0.46) ADORA2AADORA1KDM1AJAK2JAK3
SCHEMBL12371640 0.94 KDM1A (0.46) ADORA2AADORA1KDM1AJAK2JAK3
SCHEMBL13608286 0.92 KDM1A (0.44) ADORA2AADORA1KDM1AJAK2JAK3
SCHEMBL12397531 0.90 KDM1A (0.43) ADORA2AADORA1KDM1AJAK2JAK3
SCHEMBL12371674 0.89 JAK2 (0.44) KDM1AJAK2JAK3USP1CDK9
SCHEMBL12371677 0.89 JAK2 (0.44) KDM1AJAK2JAK3USP1CDK9
SCHEMBL12371699 0.89 JAK2 (0.46) ADORA2AADORA1KDM1AJAK2JAK3

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 ADORA2A 995/4885ADORA1 1307/4885KDM1A 1218/4885

“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.