SCHEMBL13608441

SCHEMBL13608441

O=c1[nH]c2cnc(NCC3CNC3)nc2n1C1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
JAK3 P52333 8/20 0.44
JAK1 P23458 7/20 0.44
TYK2 P29597 1/20 0.44
PRKDC P78527 1/20 0.38
GRIN2B Q13224 1/20 0.37
CCNE2 O96020 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
RIPK2 O43353 1/20 0.36
GSK3B P49841 1/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPK1 P28482 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34

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
SCHEMBL13608378 0.92 JAK2 (0.44) JAK2JAK3JAK1TYK2PRKDC
SCHEMBL13608308 0.92 JAK2 (0.44) JAK2JAK3JAK1TYK2PRKDC
SCHEMBL13608437 0.91 JAK2 (0.43) JAK2JAK3JAK1TYK2PRKDC
SCHEMBL13608390 0.91 JAK2 (0.43) JAK2JAK3JAK1TYK2PRKDC
SCHEMBL13608426 0.87 JAK2 (0.42) JAK2JAK3JAK1TYK2PRKDC
SCHEMBL13608448 0.87 JAK2 (0.42) JAK2JAK3JAK1TYK2PRKDC
SCHEMBL13608418 0.82 JAK2 (0.42) JAK2JAK3JAK1TYK2PRKDC
SCHEMBL13608404 0.81 JAK2 (0.42) JAK2JAK3JAK1TYK2PRKDC
SCHEMBL13608444 0.78 JAK2 (0.44) JAK2JAK3JAK1TYK2CDK4
SCHEMBL12371773 0.78 JAK2 (0.46) JAK2JAK3JAK1TYK2CDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ JAK2 1072/4885JAK3 1062/4885JAK1 816/4885

“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.