SCHEMBL13620491

SCHEMBL13620491

O=c1[nH]c2cnc(NCCc3c[nH]cn3)nc2n1Cc1cc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 17/20 0.39
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
IDH1 O75874 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33

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
SCHEMBL13608176 0.86 IDH1 (0.38) DDR1HSP90AA1HSP90B1TRAP1IDH1
SCHEMBL13620043 0.82 IDH1 (0.38) HSP90AA1HSP90B1TRAP1IDH1
SCHEMBL13620041 0.82 DDR1 (0.41) DDR1
SCHEMBL13620490 0.79 DDR1 (0.41) DDR1
SCHEMBL13620261 0.79 DDR1 (0.44) DDR1
SCHEMBL13620262 0.79 PRKCQ (0.46) DDR1
SCHEMBL13620209 0.79 DDR1 (0.44) DDR1
SCHEMBL13620367 0.77 DDR1 (0.43) DDR1
SCHEMBL13620257 0.77 DDR1 (0.43) DDR1
SCHEMBL13620415 0.76 HRH4 (0.45) HSD17B13

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 1 patent. 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

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 DDR1 3201/4885HSP90AA1 3427/4885HSP90B1 2327/4885

“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.