SCHEMBL1707772

SCHEMBL1707772

COC(=O)c1c(Cl)cc(C(N)=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
BCAT2 O15382 1/20 0.40
ABL1 P00519 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
NQO2 P16083 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ACLY P53396 2/20 0.38
PARP1 P09874 2/20 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
SCHEMBL1707086 0.88 LMNA (0.41) HTTLMNAGAAKDM4EALDH1A1
SCHEMBL522606 0.86 CA1 (0.54) HTTLMNAGAAKDM4EALDH1A1
SCHEMBL10130179 0.82 ALDH1A1 (0.45) LMNAGAAKDM4EALDH1A1CA1
SCHEMBL1706757 0.82 TPMT (0.53) GAAKDM4EALDH1A1CA1CA2
SCHEMBL1707046 0.80 NQO2 (0.50) GAAKDM4EALDH1A1ABL1CA1
SCHEMBL5542753 0.79 KMT2A (0.53) HTTLMNAGAAKDM4EALDH1A1
SCHEMBL14060255 0.79 HPGD (0.58) HTTGAAKDM4EALDH1A1CA1
SCHEMBL811037 0.79 LMNA (0.46) HTTLMNAKDM4EBCAT2TSHR
SCHEMBL2903192 0.78 KDM4E (0.50) HTTLMNAGAAKDM4EALDH1A1
SCHEMBL10129753 0.78 TSHR (0.47) HTTLMNAGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
US-9364466-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-06-14 US disclosed
EP-2714688-B1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2016-02-24 EP disclosed
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-11 US disclosed
US-8980911-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-17 US disclosed
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-05 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
WO-2012160464-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-29 WO disclosed
CN-102459187-A Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2012-05-16 CN disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 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 (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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4512/4885LMNA 4561/4885GAA 3891/4885
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 HTT 1860/4885LMNA 3030/4885GAA 2254/4885
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 HTT 1860/4885LMNA 3030/4885GAA 2254/4885

“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.