SCHEMBL1606149

SCHEMBL1606149

CCn1c(-c2cccnc2)c(C=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.48
TBXAS1 P24557 5/20 0.47
PTGER4 P35408 1/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
HCRTR1 O43613 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2851555 0.85 ALDH1A1 (0.65) ALDH1A1LMNAPTGER4KDM4EPOLB
SCHEMBL7811410 0.83 LMNA (0.71) CYP11B2ALDH1A1LMNATBXAS1POLB
SCHEMBL1605774 0.82 CYP11B2 (0.44) CYP11B2ALDH1A1LMNATBXAS1KDM4E
SCHEMBL1605773 0.82 CYP11B2 (0.44) CYP11B2ALDH1A1LMNATBXAS1KDM4E
SCHEMBL16760200 0.81 CYP11B2 (0.68) CYP11B2ALDH1A1LMNATBXAS1KDM4E
SCHEMBL27852704 0.79 ALDH1A1 (0.78) ALDH1A1LMNAKDM4EPOLBHPGD
SCHEMBL9505790 0.78 ALDH1A1 (0.49) CYP11B2ALDH1A1LMNATBXAS1KDM4E
SCHEMBL1606373 0.78 CYP11B2 (0.70) CYP11B2ALDH1A1TBXAS1PTGER4KDM4E
SCHEMBL1606032 0.73 CYP11B2 (0.44) CYP11B2ALDH1A1TBXAS1KDM4EPOLB
SCHEMBL16120105 0.72 NPY5R (0.59) CYP11B2ALDH1A1LMNAPTGER4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 CN disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
CN-102076665-B Organic compounds NOVARTIS AG 2014-09-03 CN disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885ALDH1A1 93/4885LMNA 3214/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885ALDH1A1 93/4885LMNA 3214/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885ALDH1A1 110/4885LMNA 3337/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885ALDH1A1 110/4885LMNA 3337/4885

“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.