SCHEMBL4029373

SCHEMBL4029373

Cc1cc(COc2ccc(N)cc2Cl)on1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.57
▸ RAB9A P51151 10/20 0.52
▸ NPC1 O15118 9/20 0.52
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 3/20 0.46
▸ PKM P14618 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL4030970 0.78 KMT2A (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL10938471 0.78 MEN1 (0.59) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL3809625 0.78 EPHA2 (0.46) MEN1KMT2ARAB9ANPC1MRGPRX4
SCHEMBL23538003 0.78 NPC1 (0.39) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL3884854 0.76 KMT2A (0.57) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL13620914 0.74 KMT2A (0.58) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL23537705 0.73 L3MBTL1 (0.51) MEN1KMT2AALDH1A1RAB9AMRGPRX4
SCHEMBL21835282 0.73 MRGPRX4 (0.47) RAB9ANPC1MRGPRX4MAPT
SCHEMBL23538130 0.73 SYK (0.45) ALDH1A1MRGPRX4
SCHEMBL15304829 0.73 MRGPRX4 (0.44) MEN1KMT2AALDH1A1RAB9ANPC1

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 MEN1 1212/4885KMT2A 1693/4885ALDH1A1 3334/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MEN1 2352/4885KMT2A 1786/4885ALDH1A1 4094/4885

“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.

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