SCHEMBL3579039

SCHEMBL3579039

Nc1ncc(C#Cc2cccc(NC(=O)NCCNCc3ccccc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.47
TEK Q02763 2/20 0.47
KDR P35968 3/20 0.45
NAMPT P43490 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PTPN11 Q06124 1/20 0.43
BTK Q06187 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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 0.88 KDR (0.46) TEKKDRKMT2AMEN1NPC1
SCHEMBL3585889 0.84 LCK (0.46) LCKTEKKDRKMT2ANPC1
SCHEMBL4720860 0.83 KDR (0.57) LCKTEKKDRKMT2AMEN1
SCHEMBL3585366 0.82 L3MBTL1 (0.53) LCKTEKKDRNAMPTKMT2A
SCHEMBL5280527 0.81 KMT2A (0.47) LCKTEKKDRKMT2AMEN1
SCHEMBL4717546 0.80 LMNA (0.62) LCKTEKKDRNAMPTKMT2A
SCHEMBL5280519 0.79 LCK (0.45) LCKTEKKDRKMT2AMEN1
SCHEMBL3576758 0.79 KDR (0.52) KDRNAMPTNPC1RAB9APTPN11
SCHEMBL3585337 0.78 MEN1 (0.55) LCKTEKKMT2AMEN1MAPT
SCHEMBL3580009 0.78 LCK (0.59) LCKTEKKDRPTPN11EGFR

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 5 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
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 LCK 326/4885TEK 1/4885KDR 11/4885

“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.