SCHEMBL4718442

SCHEMBL4718442

Nc1ncc(C#Cc2nnc(NC(=O)Nc3ccccc3)s2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
ABL1 P00519 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
CDK2 P24941 3/20 0.46
CCNE1 P24864 2/20 0.46
CDK5 Q00535 2/20 0.46
MAPT P10636 8/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
AURKA O14965 1/20 0.45
PIM1 P11309 1/20 0.45
GSK3B P49841 1/20 0.45
TP53 P04637 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
SCHEMBL4716945 0.83 CDK2 (0.52) NPC1RAB9AABL1SMN1; SMN2GAA
SCHEMBL4720860 0.80 KDR (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4717524 0.78 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL4718311 0.76 RAB9A (0.52) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL4718575 0.76 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL4714771 0.76 LCK (0.56) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL4718542 0.76 MAPT (0.54) NPC1RAB9AABL1SMN1; SMN2GAA
SCHEMBL4721031 0.75 KMT2A (0.47) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL4717259 0.74 KDR (0.49) ABL1AURKAPIM1GSK3B
SCHEMBL4716065 0.74 MAPT (0.65) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 NPC1 4797/4885RAB9A 4632/4885ABL1 35/4885

“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.