SCHEMBL3585889

SCHEMBL3585889

Nc1ncc(C#Cc2cccc(NC(=O)NCCNc3ccccn3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.46
TEK Q02763 3/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
ALOX15 P16050 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDR P35968 4/20 0.41
HTT P42858 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
PIM1 P11309 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
FLT3 P36888 1/20 0.40
PIM3 Q86V86 1/20 0.40
AURKB Q96GD4 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
SCHEMBL3585126 0.88 NPC1 (0.43) SMN1; SMN2ALOX15NPC1RAB9ALMNA
SCHEMBL3579039 0.84 LCK (0.47) LCKTEKSMN1; SMN2NPC1RAB9A
SCHEMBL4720860 0.79 KDR (0.57) LCKTEKSMN1; SMN2NPC1RAB9A
SCHEMBL3585366 0.78 L3MBTL1 (0.53) LCKTEKSMN1; SMN2NPC1RAB9A
SCHEMBL5280519 0.77 LCK (0.45) LCKTEKSMN1; SMN2ALOX15LMNA
SCHEMBL3585337 0.77 MEN1 (0.55) LCKTEKKMT2A
SCHEMBL5280527 0.75 KMT2A (0.47) LCKTEKSMN1; SMN2NPC1RAB9A
SCHEMBL3575909 0.75 CCR3 (0.48) LCKTEKKDRKMT2A
SCHEMBL3587886 0.75 MAPT (0.51) KMT2A
SCHEMBL4715827 0.75 MEN1 (0.60) LCKTEKSMN1; SMN2ALOX15NPC1

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 1/4885SMN1; SMN2 3824/4885

“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.