SCHEMBL2269378

SCHEMBL2269378

O=c1[nH]c2ccc(NCC3CCNC3)nc2n1Cc1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
CCNT1 O60563 8/20 0.37
CDK9 P50750 4/20 0.37
MAOB P27338 2/20 0.37
HTR6 P50406 2/20 0.37
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
PIM1 P11309 3/20 0.36
PIM3 Q86V86 2/20 0.36
PRMT5 O14744 1/20 0.36
USP1 O94782 1/20 0.36
KDM1A O60341 1/20 0.35
FLT3 P36888 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM2 Q9P1W9 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
SCHEMBL2274339 1.00 BIRC2 (0.39) BIRC2JAK2JAK3CCNT1CDK9
SCHEMBL2269372 1.00 BIRC2 (0.39) BIRC2JAK2JAK3CCNT1CDK9
SCHEMBL12371656 0.85 KDM1A (0.46) JAK2JAK3MAOBHTR6BRD4
SCHEMBL12371633 0.85 KDM1A (0.46) JAK2JAK3MAOBHTR6BRD4
SCHEMBL12371640 0.85 KDM1A (0.46) JAK2JAK3MAOBHTR6BRD4
SCHEMBL13608271 0.84 CCNT1 (0.39) BIRC2CCNT1CDK9MAOBHTR6
SCHEMBL13608342 0.83 BIRC2 (0.40) BIRC2CCNT1CDK9MAOBHTR6
SCHEMBL13608282 0.83 BRD4 (0.42) BIRC2BRD4ATAD2PIM1PIM3
SCHEMBL13608469 0.81 CDK9 (0.43) JAK2JAK3CCNT1CDK9MAOB
SCHEMBL2276730 0.81 BIRC2 (0.42) BIRC2JAK2JAK3CCNT1CDK9

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
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
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.