SCHEMBL3797366

SCHEMBL3797366

Cn1nc(CO)c2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
GRM5 P41594 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SSTR4 P31391 1/20 0.35
GAA P10253 3/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 4/20 0.33
LMNA P02545 4/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CREBBP Q92793 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IDO1 P14902 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3799159 0.96 BRD4 (0.43) BRD4GRM5POLBMAPTTDP1
SCHEMBL14751327 0.82 BRD4 (0.44) BRD4GRM5POLBMAPTTDP1
SCHEMBL3796853 0.81 BRD4 (0.43) BRD4GRM5POLBMAPTTDP1
SCHEMBL14751267 0.78 BRD4 (0.41) BRD4GRM5POLBMAPTGAA
SCHEMBL20631132 0.78 LMNA (0.32) BRD4GAALMNATSHRNPSR1
SCHEMBL23082898 0.77 RAB9A (0.41) BRD4POLBMAPTGAACYP1A2
SCHEMBL8324035 0.77 BRD4 (0.40) BRD4GRM5POLBMAPTL3MBTL1
SCHEMBL24959143 0.77 BRD4 (0.40) BRD4GRM5POLBMAPTL3MBTL1
SCHEMBL3796955 0.77 BRD4 (0.40) BRD4GRM5POLBMAPTL3MBTL1
SCHEMBL3799033 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 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 (3 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 BRD4 2516/4885GRM5 3605/4885POLB 3475/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 BRD4 37/4885GRM5 3668/4885POLB 1967/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 BRD4 2516/4885GRM5 3605/4885POLB 3475/4885

“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.