SCHEMBL16094691

SCHEMBL16094691

CC(O)CNc1cc(Cl)nc(Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
CXCR2 P25025 1/20 0.37
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ESR2 Q92731 1/20 0.33

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
SCHEMBL16094689 1.00 ESR1 (0.61) ESR1SMN1; SMN2ALDH1A1KDM4ECYP2D6
SCHEMBL9090117 0.86 ESR1 (0.82) ESR1CYP2D6CYP2C19HRH4ESR2
SCHEMBL11281707 0.85 ESR1 (0.46) ESR1SMN1; SMN2ALDH1A1KDM4ECYP2D6
SCHEMBL23876121 0.81 ESR1 (0.46) ESR1SMN1; SMN2ALDH1A1KDM4ECYP2D6
SCHEMBL29762427 0.80 ESR1 (0.45) ESR1SMN1; SMN2ALDH1A1KDM4ECYP2D6
SCHEMBL23275205 0.80 ESR1 (0.45) ESR1SMN1; SMN2ALDH1A1KDM4ECYP2D6
SCHEMBL23275208 0.80 ESR1 (0.45) ESR1SMN1; SMN2ALDH1A1KDM4ECYP2D6
SCHEMBL28623660 0.77 ESR1 (0.44) ESR1SMN1; SMN2ALDH1A1KDM4EESR2
SCHEMBL28623661 0.77 ESR1 (0.44) ESR1SMN1; SMN2ALDH1A1KDM4EESR2
SCHEMBL6298554 0.76 CYP2D6 (0.54) ESR1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4048259-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-08-31 EP disclosed
CN-114845711-A Inhibitors of RAF kinase 金耐特生物制药公司 2022-08-02 CN disclosed
US-20210300904-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2021-09-30 US disclosed
CN-108467369-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2021-08-20 CN disclosed
WO-2021081375-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2021-04-29 WO disclosed
US-10709712-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2020-07-14 US disclosed
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-06-13 US disclosed
US-10245267-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2019-04-02 US disclosed
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed
CN-105143209-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2018-03-13 CN disclosed
US-20170260207-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2017-09-14 US disclosed
US-9694016-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2017-07-04 US disclosed
US-20160038504-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-11 US disclosed
EP-2970216-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2016-01-20 EP disclosed
WO-2014151616-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-09-25 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 (6 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-20210300904-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF ESR1 2072/4885SMN1; SMN2 3700/4885ALDH1A1 2750/4885
US-10709712-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS ESR1 3372/4885SMN1; SMN2 3547/4885ALDH1A1 1592/4885
US-20170260207-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS ESR1 3372/4885SMN1; SMN2 3547/4885ALDH1A1 1592/4885
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS ESR1 3372/4885SMN1; SMN2 3547/4885ALDH1A1 1592/4885
US-20160038504-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS ESR1 3372/4885SMN1; SMN2 3547/4885ALDH1A1 1592/4885
US-10245267-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS ESR1 3372/4885SMN1; SMN2 3547/4885ALDH1A1 1592/4885

“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.