SCHEMBL4716651

SCHEMBL4716651

Cc1ccc(N)cc1C#Cc1cnc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.46
TEK Q02763 3/20 0.46
KDR P35968 2/20 0.46
KIT P10721 5/20 0.43
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CASP1 P29466 2/20 0.38
DDR1 Q08345 2/20 0.37
DDR2 Q16832 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAP4K4 O95819 1/20 0.36
GRM5 P41594 1/20 0.35
TTR P02766 1/20 0.35
RET P07949 1/20 0.34
CSF1R P07333 1/20 0.33

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
SCHEMBL4618794 0.80 KDM4E (0.53) TEKKDRALDH1A1TSHR
SCHEMBL22529514 0.79 LCK (0.57) LCKTEKKDRKITABL1
SCHEMBL4618985 0.78 LCK (0.35) LCKTEKKDRKITABL1
SCHEMBL2812544 0.77 MAPT (0.55) ALDH1A1CASP1CYP3A4TSHR
SCHEMBL24528541 0.76 LCK (0.57) LCKTEKKDRKITABL1
SCHEMBL4717539 0.74 APP (0.64) MAP4K4GRM5
SCHEMBL2808490 0.74 ALDH1A1 (0.52) ALDH1A1CASP1CYP3A4TSHR
SCHEMBL3572562 0.72 MAP4K4 (0.53) LCKTEKKDRABL1CASP1
SCHEMBL2806709 0.72 ALDH1A1 (0.45) ALDH1A1CASP1CYP3A4TSHRGRM5
SCHEMBL13499904 0.69 HSP90AA1 (0.38) MAP4K4GRM5

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 disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
CN-1917879-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN 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 LCK 391/4885TEK 2/4885KDR 5/4885

“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.