SCHEMBL4027873

SCHEMBL4027873

C#Cc1cc(N)ccc1OCc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
MPO P05164 1/20 0.43
MAOB P27338 3/20 0.43
MCL1 Q07820 1/20 0.43
IDO1 P14902 2/20 0.42
DHFR P00374 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4034496 0.84 MRGPRX4 (0.40) MRGPRX4MAOBSMN1; SMN2RAB9AALDH1A1
SCHEMBL3319862 0.78 MAPT (0.60) MRGPRX4MPOMAOBMCL1IDO1
SCHEMBL4028363 0.77 MAOB (0.57) MAOBIDO1MAPTLMNAL3MBTL1
SCHEMBL14854759 0.72 MAOB (0.48) MPOMAOBIDO1DHFRMAPT
SCHEMBL2808093 0.72 MAPT (0.54) MAOBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2950518 0.71 MAOB (0.71) MAOBIDO1MAPTSMN1; SMN2NPC1
SCHEMBL1577187 0.71 MCL1 (0.57) MPOMAOBMCL1IDO1DHFR
SCHEMBL30633296 0.70 MAOB (0.60) MAOBIDO1KCNH2LMNAKDM4E
SCHEMBL4638459 0.70 MAOB (0.60) MAOBIDO1KCNH2LMNAKDM4E
SCHEMBL30331042 0.70 MCL1 (0.56) MAOBMCL1IDO1DHFRKCNH2

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 10 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
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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
EP-1444211-A2 QUINAZOLINE 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
WO-2003040109-A2 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 (4 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 MRGPRX4 1362/4885MPO 2876/4885MAOB 1671/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MRGPRX4 1072/4885MPO 2084/4885MAOB 1215/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 MRGPRX4 1362/4885MPO 2876/4885MAOB 1671/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MRGPRX4 1072/4885MPO 2084/4885MAOB 1215/4885

“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.