SCHEMBL12985397

SCHEMBL12985397

[C-]#[N+]c1cnc(Nc2cc3cc[nH]c3cn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
MAOB P27338 4/20 0.41
ABL1 P00519 2/20 0.34
CHEK1 O14757 2/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.33
FYN P06241 1/20 0.32
PAK3 O75914 1/20 0.32
PAK1 Q13153 1/20 0.32
PAK2 Q13177 1/20 0.32
MAP3K11 Q16584 1/20 0.31
SYK P43405 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
BCR P11274 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL12984026 0.77 CHEK1 (0.56) ABL1CHEK1
SCHEMBL12983585 0.75 HDAC6 (0.47) HDAC6MAOBABL1APPMAPT
SCHEMBL3517783 0.75 CHEK1 (0.62) HDAC6MAOBCHEK1
SCHEMBL12983991 0.73 CHEK1 (0.46) HDAC6CHEK1MAPT
SCHEMBL27260788 0.72 HDAC6 (0.59) HDAC6MAOBABL1CHEK1APP
SCHEMBL27260556 0.71 HDAC6 (0.54) HDAC6MAOBABL1APPMAPT
SCHEMBL12122434 0.70 NOS3 (0.37)
Hydrochloric Acid SCHEMBL29243663 0.69 HDAC6 (0.52) HDAC6MAOBABL1APPMAPT
SCHEMBL30471294 0.67 HDAC6 (0.40) HDAC6MAOBMAPTMAP3K11GPR84
SCHEMBL27412648 0.67 HDAC6 (0.54) HDAC6MAOBABL1APPMAPT

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-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 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-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CHEK1, CHEK2, BUB1B HDAC6 638/4885MAOB 1403/4885ABL1 278/4885

“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.