SCHEMBL9951795

SCHEMBL9951795

C#Cc1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
GAA P10253 2/20 0.52
PDPK1 O15530 1/20 0.52
CYP3A4 P08684 1/20 0.52
IDO1 P14902 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.48
TTK P33981 1/20 0.48
MAPK10 P53779 1/20 0.48
CYP1A2 P05177 1/20 0.44
RARG P13631 1/20 0.42
LRRK2 Q5S007 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
YTHDC1 Q96MU7 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
AURKA O14965 1/20 0.40

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
SCHEMBL29733448 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1290531 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL2851022 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL224732 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL16303429 0.76 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL17887974 0.76 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL7982776 0.75 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL24358756 0.73 PDPK1 (0.58) PDPK1IDO1CDK2FLT3
SCHEMBL15312579 0.73 ITK (0.46) GAAALDH1A1ITKMAP2K4
SCHEMBL15312372 0.73 MAP2K4 (0.51) ITKMAP2K4HTR2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538101-B1 INHIBITORS OF CANCER AND/OR METASTASIS UNIV VIRGINIA COMMONWEALTH (US) 2024-06-19 EP disclosed
US-11891399-B2 Inhibitors of cancer invasion, attachment, and/or metastasis VIRGINIA COMMONWEALTH UNIVERSITY (US) 2024-02-06 US disclosed
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2022-04-28 US disclosed
EP-3924340-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER Merck Patent GmbH (DE) 2021-12-22 EP disclosed
CN-113474334-A Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer 默克专利股份公司 2021-10-01 CN disclosed
US-20210214365-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS Sanford Burnham Prebys Medical Discovery Institute 2021-07-15 US disclosed
US-11008325-B2 Inhibitors of cancer invasion, attachment, and/or metastasis VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-05-18 US disclosed
WO-2020165062-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2020-08-20 WO disclosed
EP-3538101-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS Virginia Commonwealth University (US) 2019-09-18 EP disclosed
US-20190263824-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS VIRGINIA COMMONWEALTH UNIVERSITY 2019-08-29 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 CN disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012111017-A1 3-ARYLETHYNYL SUBSTITUTED QUINAZOLINONE COMPOUNDS CONCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-23 WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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 (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-11891399-B2 Inhibitors of cancer invasion, attachment, and/or metastasis SDCBP, SDC1, SDAD1 KDM4E 3578/4885GAA 4453/4885PDPK1 1074/4885
US-20210214365-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS SDCBP, SDC1, SDAD1 KDM4E 3578/4885GAA 4453/4885PDPK1 1074/4885
US-20190263824-A1 INHIBITORS OF CANCER INVASION, ATTACHMENT, AND/OR METASTASIS SDCBP, SDC1, SDAD1 KDM4E 3578/4885GAA 4453/4885PDPK1 1074/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 KDM4E 3415/4885GAA 3322/4885PDPK1 948/4885
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER KIT, TNNI3K, CILK1 KDM4E 838/4885GAA 988/4885PDPK1 128/4885
US-11008325-B2 Inhibitors of cancer invasion, attachment, and/or metastasis SDCBP, SDC1, SDAD1 KDM4E 3578/4885GAA 4453/4885PDPK1 1074/4885

“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.