SCHEMBL182598

SCHEMBL182598

COc1c[c]ccc1C(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KEAP1 Q14145 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLAU P00749 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ERN1 O75460 2/20 0.34
PDE2A O00408 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2552993 0.86 MAPT (0.37) SMN1; SMN2MEN1KMT2AKEAP1CYP1A2
SCHEMBL7355446 0.82 HTT (0.46) SMN1; SMN2MEN1KMT2ACYP1A2MAPT
SCHEMBL182820 0.80 ALDH1A1 (0.49) KMT2AMAPTALDH1A1HPGD
SCHEMBL182690 0.79 MKNK1 (0.40) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL182737 0.79 KDM4E (0.44) KMT2AMAPTALDH1A1HPGDL3MBTL1
SCHEMBL745395 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1
SCHEMBL4322097 0.77 L3MBTL1 (0.40) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1
SCHEMBL182862 0.76 PLK1 (0.49) SMN1; SMN2MAPTALDH1A1HPGDNPC1
SCHEMBL1713036 0.75 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AKEAP1MAPT
SCHEMBL743830 0.75 KMT2A (0.37) SMN1; SMN2MEN1KMT2AKEAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN claimed
CN-103391931-A A method of treating liver fibrosis PFIZER LTD 2013-11-13 CN disclosed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT SMN1; SMN2 2501/4885MEN1 3959/4885KMT2A 655/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA SMN1; SMN2 4864/4885MEN1 4278/4885KMT2A 1748/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT SMN1; SMN2 2501/4885MEN1 3959/4885KMT2A 655/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT SMN1; SMN2 2251/4885MEN1 3999/4885KMT2A 448/4885

“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.