SCHEMBL3764074

SCHEMBL3764074

COc1ccccc1Nc1nccc2[nH]nc(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK10 P53779 2/20 0.46
EGFR P00533 1/20 0.45
ABL1 P00519 1/20 0.45
YES1 P07947 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK14 Q16539 1/20 0.44
LRRK2 Q5S007 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.42

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
SCHEMBL3766326 0.88 HTT (0.49) MEN1KMT2AL3MBTL1MAPK10LRRK2
SCHEMBL3774577 0.84 LRRK2 (0.47) KMT2AL3MBTL1MAPK10EGFRLRRK2
SCHEMBL3775244 0.82 AURKA (0.51) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL461867 0.82 LRRK2 (0.64) MAPK10EGFRLRRK2ALDH1A1GAA
SCHEMBL3766773 0.82 EGFR (0.52) MAPK10EGFRMAPK8MAPK14LRRK2
SCHEMBL3768698 0.79 MAPK8 (0.53) MEN1KMT2AL3MBTL1EGFRMAPK8
SCHEMBL3771732 0.79 LRRK2 (0.39) LRRK2
SCHEMBL3774654 0.79 GAA (0.44) MEN1KMT2AEGFRLRRK2GAA
SCHEMBL3774794 0.78 GRM4 (0.50) MEN1KMT2AEGFRABL1LRRK2
Ammonia Solution, Strong SCHEMBL381919 0.78 MAPT (0.42) MEN1KMT2AL3MBTL1LRRK2ALDH1A1

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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 MEN1 904/4885KMT2A 3856/4885L3MBTL1 2106/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 MEN1 912/4885KMT2A 3840/4885L3MBTL1 2060/4885

“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.