SCHEMBL3579748

SCHEMBL3579748

Nc1ncc(C#Cc2cncc(NC(=O)NCc3ccccc3C(F)(F)F)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
EPHX2 P34913 1/20 0.50
RET P07949 1/20 0.50
TRPV1 Q8NER1 1/20 0.46
NAMPT P43490 1/20 0.44
NTRK1 P04629 3/20 0.43
LCK P06239 2/20 0.42
TEK Q02763 2/20 0.42
PTGES O14684 4/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.40
CNR1 P21554 1/20 0.40
EGFR P00533 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL3666096 0.89 LCK (0.54) ALOX5EPHX2RETTRPV1NAMPT
SCHEMBL13500321 0.85 TRPV1 (0.48) EPHX2TRPV1NAMPTNTRK1PTGES
SCHEMBL3576068 0.85 NPC1 (0.48) RETNAMPT
SCHEMBL3574459 0.83 MAPK1 (0.53) NAMPT
SCHEMBL3579085 0.80 SCN2A (0.47) RETTRPV1NAMPTLCKTEK
SCHEMBL3575251 0.78 SCN2A (0.49) RETNAMPT
SCHEMBL13500330 0.78 NTRK1 (0.51) EPHX2TRPV1NAMPTNTRK1PTGES
SCHEMBL4716714 0.77 LCK (0.58) TRPV1LCKTEKKITKDR
SCHEMBL3587488 0.76 LCK (0.49) ALOX5EPHX2NTRK1LCKTEK
SCHEMBL27716089 0.74 ALOX5 (0.45) ALOX5EPHX2RETLCKTEK

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO 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 ALOX5 1235/4885EPHX2 1948/4885RET 118/4885

“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.