SCHEMBL3574377

SCHEMBL3574377

CN(C)CCCNc1ncc(C#Cc2cccc(N(C(=O)O)c3ccccc3)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ACACB O00763 3/20 0.41
RAD52 P43351 3/20 0.41
GRM5 P41594 1/20 0.37
FGFR1 P11362 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LCK P06239 1/20 0.37
PIM2 Q9P1W9 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
SLC2A1 P11166 1/20 0.36
APOBEC3A P31941 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
APAF1 O14727 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35

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
SCHEMBL4717895 0.82 MCHR1 (0.46) KDM4EACACBRAD52FGFR1ALDH1A1
SCHEMBL4719700 0.81 PTPN11 (0.41) KDM4EACACBRAD52GRM5FGFR1
SCHEMBL3572561 0.78 EGFR (0.38) GRM5FGFR1
SCHEMBL3581185 0.75 LCK (0.43) GRM5LCK
SCHEMBL3574385 0.73 RAD52 (0.40) KDM4EACACBRAD52FGFR1ALDH1A1
SCHEMBL4719763 0.72 ALDH1A1 (0.50) KDM4EALDH1A1NPC1POLBRAB9A
SCHEMBL4718430 0.69 LCK (0.41) GRM5FGFR1LCKNPC1RAB9A
SCHEMBL3581653 0.69 ADK (0.38) GRM5
SCHEMBL4717345 0.68 MEN1 (0.49) NPC1RAB9AKMT2A
SCHEMBL27672591 0.67 LCK (0.42) GRM5LCK

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
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
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 KDM4E 524/4885ACACB 3059/4885RAD52 2339/4885

“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.