SCHEMBL3676368

SCHEMBL3676368

Cn1c(-c2cnc(C(N)=O)c(-c3c(-c4cncc(N)c4)n(C)c4ccccc34)c2)cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.45
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CDC7 O00311 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
TERT O14746 1/20 0.32
BTK Q06187 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
GRM2 Q14416 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
SCHEMBL1606762 0.76 KMT2A (0.58) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606155 0.71 CYP11B2 (0.54) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3682202 0.69 CYP11B2 (0.38) CYP11B2CDC7KDM4EALDH1A1HPGD
SCHEMBL1605888 0.65 KMT2A (0.56) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL2934377 0.65 KDR (0.44) CYP11B2KMT2AKDM4EMEN1ALDH1A1
SCHEMBL3680909 0.65 CYP11B2 (0.49) CYP11B2MAPTBTKPOLB
SCHEMBL1605248 0.65 KMT2A (0.58) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3675563 0.65 CYP11B2 (0.45) CYP11B2KMT2AMAPTKDM4EMEN1
SCHEMBL3678477 0.64 KMT2A (0.48) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3676481 0.64 CYP11B2 (0.41) CYP11B2CHRNB1CHRNB2CHRNB4CHRNA3

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 13/4885CHRNB1 2629/4885CHRNB2 3544/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CHRNB1 3239/4885CHRNB2 3915/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CHRNB1 3239/4885CHRNB2 3915/4885

“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.