SCHEMBL3682202

SCHEMBL3682202

Cn1c(-c2cnc(C(N)=O)c(-c3cc4ccc(F)cc4n3C)c2)cc2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 1/20 0.36
FYN P06241 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
NTRK1 P04629 1/20 0.34
TGFBR1 P36897 2/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
ROCK1 Q13464 1/20 0.33
CHEK2 O96017 1/20 0.33
GRM2 Q14416 1/20 0.33
MAP3K14 Q99558 1/20 0.33
MAP4K4 O95819 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
SCHEMBL3676478 0.78 CYP11B2 (0.35) CYP11B2CYP11B1FYNIDO1TDO2
SCHEMBL3676481 0.75 CYP11B2 (0.41) CYP11B2CYP11B1FYNKDM4EALDH1A1
SCHEMBL3675196 0.70 CYP11B2 (0.40) CYP11B2CDK2
SCHEMBL3676368 0.69 CYP11B2 (0.45) CYP11B2KDM4EALDH1A1HPGDCDC7
SCHEMBL15353218 0.69 KMT2A (0.66) CYP11B2CYP11B1FYNKDM4EALDH1A1
SCHEMBL3678379 0.66 CYP11B2 (0.35) CYP11B2CDC7GRM2MAP4K4
SCHEMBL1606478 0.65 CYP11B2 (0.48) CYP11B2ROCK1
SCHEMBL3683054 0.65 MAP4K4 (0.46) CYP11B2CYP11B1MAP4K4
SCHEMBL29897910 0.63 HSD17B10 (0.76) IDO1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5744064 0.63 HSD17B10 (0.76) IDO1KDM4EALDH1A1HPGDHSD17B10

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 13/4885CYP11B1 14/4885FYN 3617/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885FYN 3528/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885FYN 3528/4885

“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.