SCHEMBL13500321

SCHEMBL13500321

Nc1ncc(-c2cncc(NC(=O)NCc3ccccc3C(F)(F)F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
NTRK1 P04629 3/20 0.48
NAMPT P43490 2/20 0.46
PIK3CB P42338 3/20 0.45
ABL1 P00519 1/20 0.42
PTGES O14684 4/20 0.42
CNR1 P21554 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
EPHX2 P34913 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL13500330 0.89 NTRK1 (0.51) TRPV1NTRK1NAMPTPTGESEPHX2
SCHEMBL3579748 0.85 ALOX5 (0.50) TRPV1NTRK1NAMPTPTGESCNR1
SCHEMBL13500273 0.84 NPC1 (0.51) NAMPTPIK3CBCNR1
SCHEMBL13500332 0.82 MAPK1 (0.56) NAMPTPIK3CB
SCHEMBL3666096 0.78 LCK (0.54) TRPV1NTRK1NAMPTEPHX2
SCHEMBL13500282 0.77 SCN2A (0.55) NAMPTPIK3CBHDAC6
SCHEMBL14433931 0.74 CNR1 (0.55) TRPV1NTRK1NAMPTPTGESCNR1
SCHEMBL1792584 0.69 CA1 (0.65) TRPV1NAMPTABL1
SCHEMBL3576068 0.69 NPC1 (0.48) NAMPT
SCHEMBL1789121 0.69 CA1 (0.56) TRPV1NAMPTABL1EPHX2

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 TRPV1 4307/4885NTRK1 2866/4885NAMPT 134/4885

“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.