SCHEMBL4717411

SCHEMBL4717411

Nc1ncc(C#Cc2ccc(NC(=O)O)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPN11 Q06124 3/20 0.44
PTPN6 P29350 2/20 0.43
LCK P06239 3/20 0.43
TEK Q02763 3/20 0.43
KDR P35968 2/20 0.43
NPC1 O15118 2/20 0.42
KIT P10721 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL5254022 0.85 PTPN1 (0.41) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3580009 0.82 LCK (0.59) PTPN11LCKTEKKDREGLN1
SCHEMBL4717817 0.81 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4638868 0.80 RET (0.41) LCKTEKKDRKITMAPT
SCHEMBL8939614 0.77 RAB9A (0.64) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL2975472 0.77 MEN1 (0.56) RAB9AMEN1KMT2AALDH1A1LCK
SCHEMBL4718543 0.74 CSF1R (0.49) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4720860 0.74 KDR (0.57) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4717539 0.73 APP (0.64) MEN1KMT2AMAPT
SCHEMBL403731 0.73 GRM5 (0.61) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1

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 4 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
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 RAB9A 4632/4885SMN1; SMN2 3209/4885KDM4E 367/4885

“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.