SCHEMBL4717895

SCHEMBL4717895

CN(C)CCCNc1ncc(C#Cc2cccc(NC(=O)Nc3ccccc3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
AURKA O14965 5/20 0.43
FGFR1 P11362 2/20 0.42
EGFR P00533 1/20 0.42
KDR P35968 2/20 0.42
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
PDGFRB P09619 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
KDM1A O60341 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
ACACB O00763 1/20 0.39
AURKB Q96GD4 2/20 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
SCHEMBL5248425 0.95 FGFR1 (0.47) MCHR1AURKAFGFR1EGFRKDR
SCHEMBL4719700 0.92 PTPN11 (0.41) MCHR1FGFR1EGFRPTPN11KDM4E
SCHEMBL4719763 0.88 ALDH1A1 (0.50) AURKAEGFRKDM4EMEN1KMT2A
SCHEMBL3575775 0.88 CYP1A2 (0.43) MCHR1PTPN11KDM4ERAD52MEN1
SCHEMBL4715279 0.86 MEN1 (0.50) KDRPDGFRBMEN1KMT2ACSF1R
SCHEMBL4717345 0.83 MEN1 (0.49) MEN1KMT2AFLT3
SCHEMBL3574377 0.82 KDM4E (0.41) FGFR1KDM4ERAD52KMT2AALDH1A1
SCHEMBL4717473 0.81 MEN1 (0.51) MEN1KMT2AFLT3
SCHEMBL4717402 0.81 MCHR1 (0.51) MCHR1FGFR1KDM4EHRH3MEN1
Acetamide SCHEMBL5249774 0.80 MEN1 (0.46) MEN1KMT2AFLT3

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 MCHR1 3368/4885AURKA 249/4885FGFR1 66/4885

“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.