SCHEMBL3548319

SCHEMBL3548319

O=C(O)c1cc(Cl)c2cc[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.63
TPX2 Q9ULW0 2/20 0.63
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
ENPP2 Q13822 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TTR P02766 4/20 0.47
TSHR P16473 1/20 0.46
RHEB Q15382 3/20 0.45
SPR P35270 1/20 0.43
GRIN1 Q05586 1/20 0.41
TPMT P51580 2/20 0.41
SRD5A2 P31213 1/20 0.41
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 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
SCHEMBL20875014 0.80 NR4A2 (0.46) AURKATPX2ALDH1A1RHEBFTO
SCHEMBL2806054 0.80 AURKA (0.56) AURKATPX2ALDH1A1KDM4EHPGD
SCHEMBL30446838 0.80 AURKA (0.56) AURKATPX2ALDH1A1KDM4EHPGD
SCHEMBL7163885 0.80 AURKA (0.56) AURKATPX2ALDH1A1KDM4EHPGD
SCHEMBL3541516 0.79 AURKA (0.55) AURKATPX2ALDH1A1KDM4EHPGD
SCHEMBL3545296 0.79 AURKA (0.55) AURKATPX2ALDH1A1KDM4EHPGD
SCHEMBL30829598 0.79 AURKA (0.55) AURKATPX2ALDH1A1KDM4EHPGD
SCHEMBL22778110 0.77 AURKA (0.41) AURKATPX2ALDH1A1KDM4EHPGD
SCHEMBL29714385 0.77 AURKA (0.41) AURKATPX2ALDH1A1KDM4EHPGD
SCHEMBL2172545 0.75 KDM4E (0.61) AURKATPX2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109915-A1 NOVEL ACC INHIBITORS PFIZER INC. (US) 2024-04-04 US disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
CN-115698021-A Substituted thiazolopyridines, salts thereof and their use as herbicidal active substances 拜耳公司 2023-02-03 CN disclosed
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-26 US disclosed
EP-4061803-A1 PIPERAZINE COMPOUNDS FOR INHIBITING CPS1 Eisai R&D Management Co., Ltd. (JP) 2022-09-28 EP disclosed
CN-114981247-A Piperazine compounds for inhibiting CPS1 卫材R&D管理有限公司 2022-08-30 CN disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2021102300-A1 PIPERAZINE COMPOUNDS FOR INHIBITING CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-05-27 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
US-7662824-B2 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-16 US disclosed
US-7662824-B2 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-16 US disclosed
US-7662824-B2 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-16 US disclosed
US-20070066610-A1 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-03-22 US disclosed
US-20070066610-A1 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-03-22 US disclosed
US-20070066610-A1 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-03-22 US disclosed
WO-2006101937-A1 ACYLHYDRAZONES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 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 (4 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-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 CPS1, CPSF1, CPSF7 AURKA 2319/4885TPX2 1382/4885ALDH1A1 1966/4885
US-20070066610-A1 Acylhydrazones as kinase modulators MET, ERBB2, ERBB3 AURKA 117/4885TPX2 1959/4885ALDH1A1 379/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 AURKA 3474/4885TPX2 109/4885ALDH1A1 4633/4885
US-20240109915-A1 NOVEL ACC INHIBITORS CBR3, NAT1, ACACB AURKA 815/4885TPX2 4583/4885ALDH1A1 2330/4885

“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.