SCHEMBL1406384

SCHEMBL1406384

Cc1cc(N)ccc1OCc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
MRGPRX4 Q96LA9 3/20 0.56
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
HTR6 P50406 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL12524900 0.85 MRGPRX4 (0.62) MAOBMRGPRX4IDO1AGXTHTR6
SCHEMBL3321494 0.85 MAOB (0.65) MAOBMRGPRX4IDO1AGXTHTR6
SCHEMBL1406548 0.84 MAOB (0.60) MAOBMRGPRX4IDO1AGXTEGFR
SCHEMBL1407008 0.83 FFAR4 (0.56) MAOBMRGPRX4MAPTL3MBTL1
SCHEMBL29514868 0.82 MAOB (0.61) MAOBMRGPRX4IDO1AGXTEGFR
SCHEMBL143579 0.82 MAOB (0.61) MAOBIDO1AGXTHTR6CYP1A2
SCHEMBL156718 0.82 MAOB (0.61) MAOBMRGPRX4IDO1AGXTEGFR
SCHEMBL29388015 0.82 MAOB (0.61) MAOBMRGPRX4IDO1AGXTEGFR
SCHEMBL12301124 0.81 MRGPRX4 (0.58) MAOBMRGPRX4IDO1AGXTHTR6
SCHEMBL15701532 0.81 MRGPRX4 (0.64) MAOBMRGPRX4IDO1AGXTHTR6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838712-B8 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-10-12 EP disclosed
US-7947676-B2 2-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy-}ethanol; erbB2 receptor tyrosine kinase inhibitor; anticarcinogenic, antitumor agnet; solid tumor and nonsolid such as leukaemia, multiple myeloma and lymphoma ASTRAZENECA AB (SE) 2011-05-24 US disclosed
EP-1838712-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-03-09 EP disclosed
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
CN-100482638-C N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
US-20080206330-A1 4-quinazolinamine active ingredient; inhibitor of EGFR and erbB2 protein tyrosine kinase; cancer; tablets manufactured economically, conveniently shipped, stored, dispensed; accurate dosage, ease of administration, portability NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1838712-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006064196-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 US disclosed
US-20050283019-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2005-12-22 US disclosed
CN-1656057-A N-acylaminobenzene dervatives as selective monoamine oxidase b inhibitors HOFFMANN LA ROCHE (CH) 2005-08-17 CN disclosed
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 EP disclosed
US-20040210079-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2004-10-21 US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US disclosed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 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 (5 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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885MRGPRX4 1690/4885IDO1 557/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 MAOB 1/4885MRGPRX4 1719/4885IDO1 515/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 MAOB 1/4885MRGPRX4 1058/4885IDO1 654/4885
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ERBB2, ERBB3, ERBB4 MAOB 2132/4885MRGPRX4 1967/4885IDO1 1272/4885
US-20080206330-A1 4-quinazolinamine active ingredient; inhibitor of EGFR and erbB2 protein tyrosine kinase; cancer; tablets manufactured economically, conveniently shipped, stored, dispensed; accurate dosage, ease of administration, portability ERBB2, ERBB4, PTK2B MAOB 3145/4885MRGPRX4 3946/4885IDO1 2345/4885

“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.