SCHEMBL4718602

SCHEMBL4718602

Cc1cc(NC(=O)Nc2cccc(C#Cc3cnc(NCCCN4CCCCC4)nc3)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
BRAF P15056 5/20 0.43
RAF1 P04049 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
MCHR1 Q99705 3/20 0.42
MCHR2 Q969V1 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDR P35968 2/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL4717700 0.94 ALDH1A1 (0.48) ALDH1A1BRAFRAF1MEN1KMT2A
SCHEMBL4714363 0.93 FLT3 (0.48) ALDH1A1BRAFRAF1MCHR1KDR
SCHEMBL4718429 0.90 BRAF (0.54) BRAFRAF1MEN1KMT2ANPC1
SCHEMBL4717170 0.89 BRAF (0.53) BRAFRAF1MEN1KMT2ANPC1
SCHEMBL4716640 0.89 MCHR1 (0.44) BRAFRAF1MCHR1MCHR2FLT3
SCHEMBL4718541 0.88 KDR (0.49) ALDH1A1BRAFRAF1MEN1KMT2A
SCHEMBL4717402 0.87 MCHR1 (0.51) MEN1KMT2AMCHR1MCHR2NPC1
SCHEMBL4720833 0.85 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AMCHR1NPC1
SCHEMBL4719763 0.85 ALDH1A1 (0.50) ALDH1A1BRAFMEN1KMT2ALMNA
SCHEMBL4716494 0.85 CCR3 (0.46) MCHR1MCHR2KDRFLT1FLT4

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 ALDH1A1 1339/4885BRAF 2001/4885RAF1 2084/4885

“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.