SCHEMBL3576758

SCHEMBL3576758

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.52
EGFR P00533 1/20 0.47
HTT P42858 1/20 0.46
AURKA O14965 4/20 0.46
AURKB Q96GD4 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAMPT P43490 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
BRAF P15056 1/20 0.44
PTPN11 Q06124 1/20 0.44
IMPDH2 P12268 1/20 0.44
RPS6KB1 P23443 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL3582443 0.92 KDR (0.46) KDREGFRHTTAURKAAURKB
SCHEMBL3578306 0.90 ROCK2 (0.52) KDRAURKAAURKBSMN1; SMN2NAMPT
SCHEMBL3588002 0.89 L3MBTL1 (0.64) SMN1; SMN2L3MBTL1NAMPTRAB9ANPC1
SCHEMBL4719226 0.89 KDR (0.58) KDRHTTAURKAAURKBSMN1; SMN2
SCHEMBL3575031 0.87 ROCK2 (0.55) KDRAURKASMN1; SMN2NAMPTRAB9A
SCHEMBL4716848 0.84 LMNA (0.59) KDRHTTAURKAAURKBSMN1; SMN2
SCHEMBL5251355 0.84 KDR (0.54) KDREGFRHTTAURKAAURKB
SCHEMBL4719248 0.82 PTPN11 (0.50) KDRAURKAAURKBSMN1; SMN2RAB9A
SCHEMBL3581857 0.82 SMN1; SMN2 (0.42) KDREGFRAURKAAURKBSMN1; SMN2
SCHEMBL3582789 0.82 AURKB (0.42) KDRHTTAURKAAURKBSMN1; SMN2

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 3 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
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 KDR 11/4885EGFR 827/4885HTT 2696/4885

“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.