SCHEMBL4034116

SCHEMBL4034116

C#Cc1cc(N)ccc1OCc1cscn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
FLT1 P17948 1/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
SYK P43405 1/20 0.35
PIM1 P11309 1/20 0.33
DYRK1A Q13627 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 2/20 0.32
METAP2 P50579 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL30354902 0.79 NOS3 (0.50) NOS3NOS1FLT1EPHA2KDR
SCHEMBL2194043 0.79 SYK (0.46) NOS3NOS1FLT1EPHA2KDR
Hydrochloric Acid SCHEMBL2195908 0.78 SYK (0.45) NOS3NOS1FLT1EPHA2KDR
SCHEMBL30354850 0.78 GAA (0.53) NOS3NOS1FLT1EPHA2KDR
SCHEMBL4034209 0.74 NOS1 (0.43) NOS1EPHA2KDRSYKDYRK1A
SCHEMBL4834177 0.71 MAOB (0.46) MEN1GAAMAPTKMT2ATDP1
SCHEMBL2808093 0.71 MAPT (0.54) MEN1GAAMAPTKMT2ATDP1
SCHEMBL4034496 0.69 MRGPRX4 (0.40) EPHA2KDRMEN1KMT2AALDH1A1
SCHEMBL4027873 0.69 MRGPRX4 (0.44) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL4028363 0.68 MAOB (0.57) MAPTEGFR

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-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 NOS3 931/4885NOS1 1543/4885FLT1 113/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 NOS3 1847/4885NOS1 2356/4885FLT1 82/4885

“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.