SCHEMBL14764129

SCHEMBL14764129

CC(C)(C)OCCn1cc(N)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
AR P10275 2/20 0.32

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
SCHEMBL1663037 0.80 MEN1 (0.45) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL1392926 0.80 MEN1 (0.38) MEN1KMT2AMAPTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL28364565 0.79 MEN1 (0.44) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL17209880 0.76 MEN1 (0.39) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL1703714 0.75 MEN1 (0.41) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL17187761 0.74 MAPT (0.39) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL14764041 0.74 MEN1 (0.43) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL10256261 0.74
SCHEMBL23776848 0.73 MEN1 (0.38) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL31319648 0.73 MAPT (0.40) MEN1KMT2AMAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969335-B2 Benzonitrile derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-03 US disclosed
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
WO-2013034238-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-03-14 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-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS TBK1, NFKBIA, IKBKG MEN1 3627/4885KMT2A 1285/4885MAPT 1632/4885

“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.