SCHEMBL1097701

SCHEMBL1097701

COc1cc(OCc2ccccc2)ccc1CC#N

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 1/20 0.46
BCHE P06276 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
FFAR1 O14842 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL3819411 0.90 MAOB (0.55) MAOBALOX5L3MBTL1MAPTCD274
SCHEMBL6035647 0.89 MAOB (0.51) MAOBTDP1
SCHEMBL6035496 0.89 MAOB (0.55) MAOBALOX5BCHEL3MBTL1PDGFRB
SCHEMBL3905358 0.83 MAOB (0.54) MAOBTDP1ALOX5L3MBTL1FFAR1
SCHEMBL19243141 0.82 MAOB (0.57) MAOBTDP1ALOX5BCHEL3MBTL1
SCHEMBL14416964 0.82 MAOB (0.53) MAOBALOX5BCHE
SCHEMBL13518013 0.81 MAOB (0.55) MAOBTDP1ALOX5BCHEL3MBTL1
SCHEMBL11864537 0.81 ABCB1 (0.54) MAOB
SCHEMBL1237860 0.80 APLNR (0.58) MAPT
SCHEMBL4184465 0.80 MAOB (0.70) MAOBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007113548-A1 NAPHTHYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 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 (3 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 MAOB 2535/4885TDP1 2121/4885ALOX5 4145/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 MAOB 2981/4885TDP1 1906/4885ALOX5 4129/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 MAOB 1841/4885TDP1 1898/4885ALOX5 4614/4885

“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.