SCHEMBL4716945

SCHEMBL4716945

Nc1ncc(C#Cc2cnc(NC(=O)Nc3ccccc3)s2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.52
CCNE1 P24864 2/20 0.52
CDK5 Q00535 2/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
CNR1 P21554 1/20 0.46
AURKA O14965 4/20 0.45
PIM1 P11309 1/20 0.45
GSK3B P49841 1/20 0.45
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL4718442 0.83 NPC1 (0.53) CDK2CCNE1CDK5RAB9ANPC1
SCHEMBL4720860 0.80 KDR (0.57) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4718424 0.74 KDR (0.49) AURKAPIM1GSK3BCLK4ABL1
SCHEMBL4717548 0.74 MAPK14 (0.55) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL4716046 0.74 MAPK14 (0.55) MAPTLMNA
SCHEMBL3589551 0.73 ALDH1A1 (0.38) CDK2CDK5RAB9ANPC1MAPT
SCHEMBL4717424 0.72 MAPK14 (0.38) CDK2CCNE1CDK5GAA
SCHEMBL4715713 0.72 CDK2 (0.63) CDK2CCNE1CDK5RAB9ANPC1
SCHEMBL6286689 0.72 CDK2 (0.63) CDK2CCNE1CDK5RAB9ANPC1
SCHEMBL6285776 0.72 RAB9A (0.74) CDK2CCNE1CDK5RAB9ANPC1

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 CDK2 62/4885CCNE1 361/4885CDK5 988/4885

“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.