SCHEMBL3734092

SCHEMBL3734092

CNc1cncc(-c2cc3ccccc3n2C)c1.Cn1c(-c2cncc(CN)c2)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.47
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNB3 Q05901 1/20 0.46
KMT2A Q03164 2/20 0.46
CYP11B2 P19099 4/20 0.41
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
ADRA2A P08913 1/20 0.36
NR1H2 P55055 1/20 0.35
PTGES2 Q9H7Z7 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
SCHEMBL1606591 0.92 KMT2A (0.54) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3746118 0.85 CYP11B2 (0.43) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1605878 0.80 KMT2A (0.55) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606261 0.77 CHRNB1 (0.51) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606382 0.76 CYP11B2 (0.46) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3676197 0.75 APP (0.56) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL14603921 0.74 KMT2A (0.46) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606086 0.74 CYP11B2 (0.55) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1606762 0.74 KMT2A (0.58) APPCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL28259817 0.74 KMT2A (0.63) APPKMT2AKDM4EMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 APP 1593/4885CHRNB1 2629/4885CHRNB2 3544/4885

“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.