SCHEMBL19100640

SCHEMBL19100640

CC(=O)Nc1cc(Br)c2cc[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 1/20 0.46
JAK3 P52333 1/20 0.41
MELK Q14680 1/20 0.41
RHEB Q15382 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
ESR1 P03372 2/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
KIF11 P52732 1/20 0.40
AHR P35869 1/20 0.40
ALDH1A1 P00352 2/20 0.38
DYRK1A Q13627 1/20 0.38
HPGD P15428 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
SCHEMBL16833734 0.86 RHEB (0.45) MAOAMAOBRHEBESR1AHR
SCHEMBL31312519 0.81 MAOA (0.46) MAOAMAOBJAK3MELKRHEB
SCHEMBL14143977 0.78 CDK1 (0.49) MAOAMAOBKDM4EKMT2AMTNR1A
SCHEMBL22803571 0.76 EPHX2 (0.55) KMT2AESR1MEN1MAPTHTT
SCHEMBL1612592 0.75 FBP1 (0.52) MAOAMAOBPIK3C3ESR1ALDH1A1
SCHEMBL16111463 0.75 ERCC1 (0.56) MAOAMAOBKDM4EKMT2AMTNR1A
SCHEMBL1431398 0.75 PIP4K2A (0.44) JAK3RHEBLMNAKDM4EESR1
SCHEMBL13135962 0.72 MAOA (0.64) MAOAMAOBKDM4EKMT2AESR1
SCHEMBL30005991 0.72 MAOA (0.64) MAOAMAOBKDM4EKMT2AESR1
SCHEMBL3546474 0.72 NPC1 (0.45) RHEBLMNAKDM4EKMT2AKIF11

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
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 EP disclosed
CN-109328059-B Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2021-08-17 CN disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 US disclosed
CN-109328059-A Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2019-02-12 CN 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
EP-3399968-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2018-11-14 EP disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 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 (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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 MAOA 3787/4885MAOB 3153/4885JAK3 43/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 MAOA 3787/4885MAOB 3153/4885JAK3 43/4885

“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.