SCHEMBL4034496

SCHEMBL4034496

C#Cc1cc(N)ccc1OCc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
RAB9A P51151 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ERBB2 P04626 2/20 0.34
EGFR P00533 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CG P48736 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAOB P27338 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DHODH Q02127 2/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
PTGER1 P34995 1/20 0.32
SGMS2 Q8NHU3 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
SCHEMBL4027873 0.84 MRGPRX4 (0.44) MRGPRX4RAB9AMEN1KMT2AKDM4E
SCHEMBL4028363 0.81 MAOB (0.57) ERBB2EGFRMAOB
SCHEMBL8807187 0.77 GAA (0.55) ERBB2MEN1KMT2APIK3CGKDM4E
SCHEMBL2808093 0.73 MAPT (0.54) RAB9AMEN1KMT2AKDM4EMAOB
SCHEMBL4638517 0.70 MAOB (0.59) RAB9AMEN1KMT2AKDM4EMAOB
SCHEMBL31172133 0.70 MAOB (0.59) RAB9AMEN1KMT2AKDM4EMAOB
SCHEMBL4034116 0.69 NOS3 (0.40) EGFRMEN1KMT2AKDM4EUSP2
SCHEMBL13577268 0.69 RAB9A (0.36) MRGPRX4RAB9ATAAR1ERBB2MEN1
SCHEMBL641650 0.69 EGFR (0.35) EGFRMEN1KMT2AKDM4EUSP2
SCHEMBL4034209 0.68 NOS1 (0.43) KDM4EUSP2ALDH1A1EPHA2KDR

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 MRGPRX4 1362/4885RAB9A 978/4885TAAR1 1783/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MRGPRX4 1072/4885RAB9A 464/4885TAAR1 1753/4885

“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.