SCHEMBL2493579

SCHEMBL2493579

COc1ccc(Cn2cnc3cc[c]cc3c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.55
ROCK1 Q13464 3/20 0.47
ROCK2 O75116 2/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL19338476 0.79 MMP13 (0.65) MMP13ROCK1ROCK2SLC22A8KDM4E
SCHEMBL2315834 0.78 MMP13 (0.64) MMP13ROCK1ROCK2SLC22A8KDM4E
SCHEMBL29147374 0.78 MMP13 (0.64) MMP13ROCK1ROCK2SLC22A8KDM4E
SCHEMBL2491607 0.78 MMP13 (0.64) MMP13ROCK1ROCK2SLC22A8NPC1
SCHEMBL3085533 0.76 MMP13 (0.55) MMP13ROCK1ROCK2SLC22A8NPC1
SCHEMBL2317224 0.74 MMP13 (0.59) MMP13SLC22A8KDM4ELMNAMAPT
SCHEMBL2494650 0.74 MMP13 (0.68) MMP13ROCK1SLC22A8NPC1RAB9A
SCHEMBL5124722 0.74 HDAC6 (0.62) MMP13ROCK1ROCK2SLC22A8KDM4E
SCHEMBL5423323 0.73 MMP13 (0.55) MMP13ROCK1ROCK2SLC22A8KDM4E
SCHEMBL2494716 0.72 MMP13 (0.64) MMP13ROCK1ROCK2SLC22A8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP claimed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP claimed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US claimed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US claimed
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-16 US claimed
EP-1966214-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-09-10 EP claimed
US-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-30 US claimed
WO-2007075567-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 WO claimed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US disclosed
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-16 US disclosed
EP-1966214-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-09-10 EP disclosed
US-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-30 US disclosed
WO-2007075567-A1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 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-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 MMP13 4308/4885ROCK1 107/4885ROCK2 261/4885
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 MMP13 4308/4885ROCK1 107/4885ROCK2 261/4885

“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.