SCHEMBL4720833

SCHEMBL4720833

Cc1cc(NC(=O)Nc2ccc(C#Cc3cnc(NCCN4CCCC4)nc3)cc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
FLT3 P36888 4/20 0.45
KDR P35968 4/20 0.45
AURKA O14965 3/20 0.45
KDM4E B2RXH2 2/20 0.42
SLC2A1 P11166 1/20 0.41
MCHR1 Q99705 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALK Q9UM73 2/20 0.39

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 0.91 ALDH1A1 (0.48) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL4718634 0.89 SLC2A1 (0.52) RAB9ANPC1MEN1KMT2AFLT3
SCHEMBL4718602 0.85 ALDH1A1 (0.46) SMN1; SMN2RAB9AMAPTNPC1HSD17B10
SCHEMBL4718541 0.84 KDR (0.49) ALDH1A1MEN1KMT2AFLT3KDR
SCHEMBL4718677 0.80 BRAF (0.51) RAB9ANPC1MEN1KMT2AFLT3
SCHEMBL4714363 0.79 FLT3 (0.48) ALDH1A1FLT3KDRAURKAMCHR1
SCHEMBL4716501 0.79 BRAF (0.52) RAB9ANPC1MEN1KMT2AFLT3
SCHEMBL4715061 0.77 RAB9A (0.49) RAB9AMAPTNPC1ALDH1A1FLT3
SCHEMBL4717448 0.76 EPHX2 (0.46) ALDH1A1MEN1KMT2AHRH3
SCHEMBL1256857 0.76 FLT3 (0.54) RAB9ANPC1MEN1KMT2AFLT3

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 SMN1; SMN2 3209/4885RAB9A 4632/4885MAPT 1508/4885

“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.