SCHEMBL3678477

SCHEMBL3678477

Cn1c(-c2c[c]c(C(N)=O)nc2)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CYP11B2 P19099 2/20 0.47
CDC7 O00311 1/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
SLC9A1 P19634 1/20 0.40
MCL1 Q07820 1/20 0.40
FASN P49327 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
APP P05067 3/20 0.38
ADRA2A P08913 1/20 0.37
DAO P14920 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL3678379 0.86 CYP11B2 (0.35) KMT2ACYP11B2CDC7MAPT
SCHEMBL3676478 0.86 CYP11B2 (0.35) KMT2ACYP11B2CDC7KDM4EALDH1A1
SCHEMBL3676195 0.83 STAT6 (0.48) KMT2ACYP11B2MAPTKDM4EMEN1
SCHEMBL1606155 0.73 CYP11B2 (0.54) KMT2ACYP11B2CDC7MAPTKDM4E
SCHEMBL3675561 0.72 ALDH1A1 (0.43) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL3677515 0.71 ALDH1A1 (0.41) CYP11B2MAPTKDM4EALDH1A1HPGD
SCHEMBL3685274 0.71 CYP11B2 (0.53) KMT2ACYP11B2MEN1ALDH1A1RECQL
SCHEMBL17595016 0.68 KMT2A (0.63) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL214075 0.67 KMT2A (1.00) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL29581156 0.67 KMT2A (1.00) KMT2AMAPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP 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
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 KMT2A 4447/4885CYP11B2 13/4885CDC7 4239/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 KMT2A 4274/4885CYP11B2 12/4885CDC7 4043/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 KMT2A 4274/4885CYP11B2 12/4885CDC7 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.