SCHEMBL3685274

SCHEMBL3685274

Cn1c(-c2c[c]c(C(N)=O)nc2)c(C#N)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.53
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
EGFR P00533 2/20 0.40
SRC P12931 2/20 0.40
CYP11B1 P15538 1/20 0.39
MAOA P21397 1/20 0.39
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.36
MAPK1 P28482 2/20 0.36
STAT3 P40763 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL3683229 0.86 CYP11B2 (0.41) CYP11B2CYP11B1MAOA
SCHEMBL3685371 0.85 CYP11B2 (0.55) CYP11B2CYP11B1MAOA
SCHEMBL3675561 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD17B10EGFRSRC
SCHEMBL3677515 0.80 ALDH1A1 (0.41) CYP11B2ALDH1A1SMN1; SMN2HSD17B10EGFR
SCHEMBL3674058 0.76 CYP11B2 (0.61) CYP11B2ALDH1A1SMN1; SMN2HSD17B10EGFR
SCHEMBL3678477 0.71 KMT2A (0.48) CYP11B2ALDH1A1MEN1KMT2ARECQL
SCHEMBL28988803 0.71 CYP11B2 (0.73) CYP11B2ALDH1A1SMN1; SMN2HSD17B10EGFR
SCHEMBL1605013 0.70 CYP11B2 (1.00) CYP11B2ALDH1A1SMN1; SMN2EGFRSRC
SCHEMBL1606066 0.69 CYP11B2 (0.68) CYP11B2ALDH1A1HSD17B10EGFRSRC
SCHEMBL3685276 0.69 CYP11B2 (0.68) CYP11B2ALDH1A1HSD17B10EGFRSRC

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 13/4885ALDH1A1 93/4885SMN1; SMN2 3700/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885ALDH1A1 110/4885SMN1; SMN2 3520/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885ALDH1A1 110/4885SMN1; SMN2 3520/4885

“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.