SCHEMBL3610036

SCHEMBL3610036

Cc1c(/C=N/O)nn(C)c1Oc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 2/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3610040 1.00 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3598975 0.89 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3603277 0.86 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3603286 0.86 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3609068 0.84 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3604328 0.84 TSHR (0.35) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3604320 0.84 TSHR (0.35) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3609063 0.84 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3604317 0.84 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3604938 0.84 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301258-B2 Benzende sulfonamide derivatives as HIV integrase inhibitors HOWARD UNIVERSITY (US) 2019-05-28 US disclosed
US-20170008839-A1 BENZENDE SULFONAMIDE DERIVATIVES AS HIV INTEGRASE INHIBITORS HOWARD UNIVERSITY (US) 2017-01-12 US disclosed
US-20160347739-A1 5-OXOPYRROLIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS HOWARD UNIVERSITY (US) 2016-12-01 US disclosed
WO-2015130958-A1 5-OXOPYRROLIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS HOWARD UNIVERSITY (US) 2015-09-03 WO disclosed
US-20100048540-A1 Heterocyclic N-Oxides as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2010-02-25 US disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 US disclosed
EP-1585749-B1 DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS PFIZER (US) 2008-08-13 EP disclosed
EP-1947102-A1 Compositions comprising diazepinoindole derivatives as kinase inhibitors Pfizer, Inc. (US) 2008-07-23 EP disclosed
WO-2002062293-A2 COUMARIN COMPOUNDS AS MICROTUBULE STABILIZING AGENTS AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-08-15 WO disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
WO-2001079198-A9 PYRAZOLES FOR INHIBITING PROTEIN KINASE AGOURON PHARMA (US) 2002-05-16 WO disclosed
US-20020049215-A1 Pyrazole-thiazole compounds, pharmaceutical compositions containing them, and methods of their use for inhibiting cyclin-dependent kinases AGOURON PHARMACEUTICALS, INC. 2002-04-25 US disclosed
WO-2002012250-A2 PYRAZOLE-THIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-02-14 WO disclosed
US-20020006952-A1 Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases LIGHPOINTE COMMUNICATION, INC. 2002-01-17 US disclosed
WO-2001079198-A1 PYRAZOLES FOR INHIBITING PROTEIN KINASE AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed
WO-2001053268-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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 (8 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-20020049215-A1 Pyrazole-thiazole compounds, pharmaceutical compositions containing them, and methods of their use for inhibiting cyclin-dependent kinases CDK4, CCNK, CDK2 KDM4E 1950/4885ALDH1A1 2325/4885HSD17B10 3379/4885
US-20170008839-A1 BENZENDE SULFONAMIDE DERIVATIVES AS HIV INTEGRASE INHIBITORS NR2E3, NR2E1, PIM3 KDM4E 114/4885ALDH1A1 2073/4885HSD17B10 1414/4885
US-20100048540-A1 Heterocyclic N-Oxides as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, HYOU1 KDM4E 1024/4885ALDH1A1 2382/4885HSD17B10 2370/4885
US-20160347739-A1 5-OXOPYRROLIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS INTS9, API5, IMPDH1 KDM4E 58/4885ALDH1A1 1683/4885HSD17B10 1406/4885
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 KDM4E 962/4885ALDH1A1 3402/4885HSD17B10 2984/4885
US-10301258-B2 Benzende sulfonamide derivatives as HIV integrase inhibitors NR2E3, NR2E1, PIM3 KDM4E 114/4885ALDH1A1 2073/4885HSD17B10 1414/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R KDM4E 2049/4885ALDH1A1 365/4885HSD17B10 390/4885
US-20020006952-A1 Compounds, pharmaceutical compositions, and methods for inhibiting protein kinases CDK3, CCNK, CDK1 KDM4E 1636/4885ALDH1A1 3414/4885HSD17B10 4382/4885

“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.