SCHEMBL2581392

SCHEMBL2581392

COc1nc(-c2ccccc2)cnc1N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SQOR Q9Y6N5 2/20 0.50
CASP1 P29466 1/20 0.50
ATR Q13535 7/20 0.48
PRKDC P78527 3/20 0.47
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PIK3CA P42336 1/20 0.46
TLR9 Q9NR96 1/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 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
SCHEMBL30505741 0.84 SQOR (0.59) MAPTALDH1A1GLAGAASMN1; SMN2
SCHEMBL29131667 0.84 SQOR (0.59) MAPTALDH1A1GLAGAASMN1; SMN2
SCHEMBL935340 0.81 AURKA (0.48) MAPTSMN1; SMN2ATRPRKDCKMT2A
SCHEMBL27544429 0.80 ATR (0.50) ATRPRKDCATM
SCHEMBL3459860 0.79 ATR (0.46) ATRPRKDCTLR9ATM
SCHEMBL10305052 0.79 ATR (0.50) MAPTALDH1A1SQORATRPRKDC
SCHEMBL12489014 0.77 ATR (0.56) SMN1; SMN2ATRPRKDCNPC1RAB9A
SCHEMBL29519952 0.77 ATR (0.56) SMN1; SMN2ATRPRKDCNPC1RAB9A
SCHEMBL6056998 0.77 SQOR (0.51) MAPTALDH1A1GLAGAASMN1; SMN2
SCHEMBL2681285 0.77 SMN1; SMN2 (0.51) MAPTALDH1A1GLAGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US disclosed
EP-2099769-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2009-09-16 EP disclosed
US-7410972-B2 Compounds ASTRAZENECA AB (SE) 2008-08-12 US disclosed
WO-2008073305-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-06-19 WO disclosed
EP-1458715-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-12-07 EP disclosed
US-20050075346-A1 Novel compounds ASTRAZENECA AB (SE) 2005-04-07 US disclosed
EP-1458715-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051870-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-06-26 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 MAPT 520/4885ALDH1A1 3484/4885GLA 1730/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 MAPT 520/4885ALDH1A1 3484/4885GLA 1730/4885
US-20050075346-A1 Novel compounds CCL11, CCL2, CCL5 MAPT 3931/4885ALDH1A1 685/4885GLA 4043/4885

“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.