SCHEMBL4719700

SCHEMBL4719700

CN(C)CCCNc1ncc(C#Cc2cccc(NC(=O)O)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.41
KDM4E B2RXH2 3/20 0.40
RAD52 P43351 2/20 0.40
LCK P06239 1/20 0.40
FGFR1 P11362 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN6 P29350 1/20 0.39
EGFR P00533 2/20 0.39
APAF1 O14727 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM5 P41594 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM1A O60341 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38

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 0.92 MCHR1 (0.46) PTPN11KDM4ERAD52LCKFGFR1
SCHEMBL3575775 0.87 CYP1A2 (0.43) PTPN11KDM4ERAD52POLBMAPT
SCHEMBL5248425 0.87 FGFR1 (0.47) PTPN11KDM4ERAD52FGFR1EGFR
SCHEMBL4719763 0.86 ALDH1A1 (0.50) KDM4EEGFRL3MBTL1POLBMAPT
SCHEMBL4715279 0.82 MEN1 (0.50) NPC1
SCHEMBL3574377 0.81 KDM4E (0.41) KDM4ERAD52LCKFGFR1APAF1
SCHEMBL3572561 0.80 EGFR (0.38) FGFR1EGFRGRM5
SCHEMBL4718430 0.80 LCK (0.41) LCKFGFR1GRM5NPC1
SCHEMBL4717345 0.79 MEN1 (0.49) NPC1
SCHEMBL3574385 0.78 RAD52 (0.40) KDM4ERAD52LCKFGFR1MAPT

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 3 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

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 PTPN11 1100/4885KDM4E 367/4885RAD52 2299/4885

“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.