SCHEMBL19100714

SCHEMBL19100714

c1ccc(C(c2ccccc2)(c2ccccc2)n2nc(N3CCCC3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
PTGER1 P34995 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 3/20 0.42
ATM Q13315 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ACP1 P24666 2/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GFER P55789 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL31543414 0.76 ALDH1A1 (0.35) HPGDKDM4EMAPK1GAASMN1; SMN2
SCHEMBL14689224 0.73 PIM1 (0.53) MAPK1TSHRHSD17B10MAPTALDH1A1
SCHEMBL19100294 0.72 CYP11B1 (0.33) L3MBTL1KDM4EMAPK1ATMHSD17B10
SCHEMBL28209418 0.72 CYP11B1 (0.33) L3MBTL1KDM4EMAPK1ATM
SCHEMBL27790903 0.72 TTK (0.36) HPGDL3MBTL1KDM4EATMHSD17B10
SCHEMBL31326570 0.71 HPGD (0.56) HPGDPTGER1L3MBTL1KDM4EMAPK1
SCHEMBL3155654 0.71 MAOB (0.34) MAPK1
SCHEMBL22284152 0.71 KDM4E (0.40) HPGDKDM4EMAPK1TSHRHSD17B10
SCHEMBL14699116 0.69 TSHR (0.42) HPGDKDM4ETSHRALDH1A1NPSR1
SCHEMBL28789599 0.69 MAPK1 (0.47) KDM4EMAPK1ALDH1A1

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 5 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
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
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 HPGD 4171/4885PTGER1 1377/4885L3MBTL1 324/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 HPGD 4171/4885PTGER1 1377/4885L3MBTL1 324/4885

“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.