SCHEMBL3676478

SCHEMBL3676478

Cn1c(-c2c[c]c(C(N)=O)nc2)cc2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.35
FYN P06241 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CYP11B1 P15538 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NTRK1 P04629 1/20 0.33
CDC7 O00311 2/20 0.33
CDK2 P24941 1/20 0.33
ROCK1 Q13464 1/20 0.33
GRM2 Q14416 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
AHR P35869 1/20 0.32
TNIK Q9UKE5 1/20 0.31
KMT2A Q03164 1/20 0.31
PLA2G10 O15496 1/20 0.31

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 0.88 CYP11B2 (0.35) CYP11B2CDC7GRM2GSK3BDYRK1A
SCHEMBL3678477 0.86 KMT2A (0.48) CYP11B2KDM4EALDH1A1HPGDCDC7
SCHEMBL3682202 0.78 CYP11B2 (0.38) CYP11B2FYNIDO1TDO2CYP11B1
SCHEMBL3676195 0.70 STAT6 (0.48) CYP11B2FYNKDM4EALDH1A1NTRK1
SCHEMBL3676481 0.69 CYP11B2 (0.41) CYP11B2FYNCYP11B1KDM4EALDH1A1
SCHEMBL15353218 0.68 KMT2A (0.66) CYP11B2FYNCYP11B1KDM4EALDH1A1
SCHEMBL15642848 0.67 HPGDS (0.32) KMT2AHPGDS
SCHEMBL3675561 0.64 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL35212138 0.63 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL3683229 0.63 CYP11B2 (0.41) CYP11B2CYP11B1GRM2

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
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

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 CYP11B2 13/4885FYN 3617/4885IDO1 1181/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885FYN 3528/4885IDO1 1070/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885FYN 3528/4885IDO1 1070/4885

“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.