SCHEMBL20715440

SCHEMBL20715440

CC(C)(C)n1c(Cc2ccccn2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GRM2 Q14416 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALOX5AP P20292 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL29846007 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EALOX15TSHRHTT
SCHEMBL20715439 0.79 SMN1; SMN2 (0.47) ALDH1A1HTTTP53MAPTMEN1
SCHEMBL6366781 0.78 MEN1 (0.51) ALDH1A1KDM4ETSHRHTTMAPT
SCHEMBL20715438 0.76 AOC2 (0.48) HTTTP53MAPTMEN1KMT2A
SCHEMBL9667153 0.75 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRHTTPDE10A
SCHEMBL2757849 0.72 LMNA (0.73) ALDH1A1KDM4EHTTTP53MAPT
SCHEMBL20715429 0.72 HTT (0.49) TSHRHTTGRM2TP53MAPT
SCHEMBL5430133 0.71 TSHR (0.44) ALDH1A1KDM4EALOX15TSHRHTT
SCHEMBL12852173 0.70 TSHR (0.58) ALDH1A1KDM4ETSHRHTTTP53
SCHEMBL20715430 0.70 TP53 (0.52) TSHRTP53MAPTMEN1KMT2A

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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GFB (ABC), LLC 2020-12-03 US disclosed
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 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 (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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS ALDH1A1 54/4885KDM4E 790/4885ALOX15 1639/4885

“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.