SCHEMBL13620430

SCHEMBL13620430

O=c1[nH]c2cnc(NCCCn3ccnc3)nc2n1Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.43
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
POLB P06746 1/20 0.41
EGFR P00533 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12371701 0.92 FGFR1 (0.41) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL12371718 0.88 POLB (0.41) POLBEGFRALOX15TSHRHTT
SCHEMBL12371666 0.86 JAK2 (0.44) JAK2JAK3
SCHEMBL12371788 0.85 POLB (0.44) QPCTJAK2JAK3POLBEGFR
SCHEMBL13620251 0.85 JAK2 (0.43) JAK2JAK3
SCHEMBL13620265 0.84 POLB (0.44) QPCTJAK2JAK3POLBALOX15
SCHEMBL13620074 0.81 ADORA2A (0.50) JAK2JAK3
SCHEMBL13620406 0.80 POLB (0.41) QPCTPOLBEGFRALOX15TSHR
SCHEMBL13608435 0.79 FGFR1 (0.45) POLBEGFRALOX15TSHRHTT
SCHEMBL12371799 0.79 SMN1; SMN2 (0.43) QPCTPOLBEGFRALOX15TSHR

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 QPCT 2918/4885JAK2 1072/4885JAK3 1062/4885

“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.