SCHEMBL3592563

SCHEMBL3592563

O=C(O)Cc1ccc2nc(Cl)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 3/20 0.47
CA2 P00918 2/20 0.46
PPARD Q03181 6/20 0.44
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOB P27338 1/20 0.43
CSNK1D P48730 3/20 0.43
POLB P06746 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9326414 0.88 KDM4E (0.65) KDM4EKMT2ACA2PPARAGAA
SCHEMBL7340444 0.85 HDAC6 (0.51) KMT2APPARDMAOBPOLBHSD17B10
SCHEMBL4695528 0.83 KDM4E (0.51) KDM4EKMT2ACA2GAAMEN1
SCHEMBL31716343 0.81 LDHA (0.56) KDM4EKMT2AGAAMEN1ALDH1A1
SCHEMBL73741 0.81 RAB9A (0.62) KDM4EKMT2AGAAALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL3592885 0.80 RAB9A (0.60) KDM4EKMT2AGAAALDH1A1HSD17B10
SCHEMBL12596891 0.79 KDM4E (0.79) KDM4EKMT2AGAAMEN1ALDH1A1
SCHEMBL8038269 0.78 KDM4E (0.57) KDM4EGAAMAOBSMN1; SMN2LMNA
SCHEMBL6982961 0.78 KMT2A (0.49) KDM4EKMT2ACA2GAAMEN1
SCHEMBL9305118 0.77 RAB9A (0.65) KDM4EKMT2AGAAMEN1ALDH1A1

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
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
CN-101558070-A Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS INC (US) 2009-10-14 CN disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
US-20030171413-A1 Bicyclic heteroaromatic derivatives for the treatment of immune and inflammatory disorders CELLTECH R & D LIMITED (GB) 2003-09-11 US disclosed
EP-1311502-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Celltech R&D Limited (GB) 2003-05-21 EP disclosed
WO-2002016353-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2002-02-28 WO disclosed
US-5288749-A Treating central nervous system or cardiovascular disorders ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 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 (2 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-20030171413-A1 Bicyclic heteroaromatic derivatives for the treatment of immune and inflammatory disorders CCR1, CCR3, CCRL2 KDM4E 3336/4885KMT2A 2399/4885CA2 2349/4885
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 KDM4E 3016/4885KMT2A 2534/4885CA2 2116/4885

“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.