SCHEMBL3676197

SCHEMBL3676197

Cn1c(-c2cncc(NCCO)c2)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.56
KMT2A Q03164 2/20 0.49
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNB3 Q05901 1/20 0.46
KDR P35968 7/20 0.44
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
TRPV3 Q8NET8 1/20 0.40
CDK7 P50613 1/20 0.39
EGFR P00533 2/20 0.39
FGFR2 P21802 2/20 0.39
GSK3A P49840 2/20 0.39

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
SCHEMBL1605287 0.80 CYP11B2 (0.48) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1606829 0.78 CHRNB1 (0.62) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605248 0.77 KMT2A (0.58) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605168 0.77 KMT2A (0.58) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1606227 0.77 CYP11B2 (0.46) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1606665 0.77 CYP11B2 (0.59) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1606596 0.76 KMT2A (0.50) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1605878 0.75 KMT2A (0.55) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL3734092 0.75 APP (0.47) APPKMT2ACHRNB1CHRNB2CHRNB4
SCHEMBL1606092 0.74 CYP11B2 (0.44) APPKMT2ACHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 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 (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-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 APP 1593/4885KMT2A 4447/4885CHRNB1 2629/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 APP 1384/4885KMT2A 4274/4885CHRNB1 3239/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 APP 1384/4885KMT2A 4274/4885CHRNB1 3239/4885

“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.