SCHEMBL3595128

SCHEMBL3595128

CCOC(=O)Cc1ccc2nc(C)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
PDE10A Q9Y233 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 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
SCHEMBL11832508 0.85 MAOB (0.48) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL29518650 0.81 KDM4E (0.55) NPC1RAB9ANFKB1KDM4ECYP1A2
SCHEMBL2495171 0.81 KDM4E (0.55) NPC1RAB9ANFKB1KDM4ECYP1A2
SCHEMBL26613577 0.81 L3MBTL1 (0.62) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL4701042 0.80 HDAC3 (0.52) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL18193024 0.79 MAOB (0.48) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL7419945 0.78 MAOB (0.49) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL3800271 0.78 GAA (0.56) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL26068233 0.77 MAOB (0.52) MAOBNPC1RAB9AL3MBTL1PKM
SCHEMBL17186094 0.77 KDM4E (0.61) MAOBNPC1RAB9ASMN1; SMN2KDM4E

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 6 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 MAOB 1398/4885NPC1 2777/4885RAB9A 2833/4885

“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.