SCHEMBL3676481

SCHEMBL3676481

Cn1c(-c2cncc(N)c2)cc2ccc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.41
CYP11B1 P15538 6/20 0.41
IRAK4 Q9NWZ3 5/20 0.39
FYN P06241 1/20 0.38
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
ROCK1 Q13464 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
KMT2A Q03164 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL1606613 0.84 IRAK4 (0.44) CYP11B2IRAK4ROCK1KMT2ACHRNB1
SCHEMBL1606762 0.81 KMT2A (0.58) CYP11B2IRAK4KMT2ACHRNB1CHRNB2
SCHEMBL1606200 0.75 CYP11B2 (0.46) CYP11B2CYP11B1FYNKMT2ACHRNB1
SCHEMBL1606478 0.75 CYP11B2 (0.48) CYP11B2ROCK1DYRK1A
SCHEMBL12190139 0.75 AOC3 (0.40) CYP11B2CYP11B1FYNKMT2ACHRNB1
SCHEMBL3682202 0.75 CYP11B2 (0.38) CYP11B2CYP11B1FYNCDC7CDK2
SCHEMBL15353218 0.74 KMT2A (0.66) CYP11B2CYP11B1FYNKMT2AKDM4E
SCHEMBL1605168 0.72 KMT2A (0.58) CYP11B2CYP11B1FYNKMT2ACHRNB1
SCHEMBL3676478 0.69 CYP11B2 (0.35) CYP11B2CYP11B1FYNCDC7CDK2
SCHEMBL2934148 0.68 NR1H2 (0.49)

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 CYP11B2 13/4885CYP11B1 14/4885IRAK4 3534/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885IRAK4 3784/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885IRAK4 3784/4885

“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.