SCHEMBL2498299

SCHEMBL2498299

CCC(C)OC(=O)C(C(=O)O)c1ccnc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
PTGS2 P35354 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRA6 Q16445 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32

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
SCHEMBL10322728 0.85 MAPT (0.38) AKR1C3AKR1C2MAPTPTGS2GABRA1
SCHEMBL27883965 0.84 MMP8 (0.41) AKR1C3AKR1C2MAPTRECQLKMT2A
SCHEMBL2492162 0.80 OGA (0.40) AKR1C3AKR1C2MAPTPTGS2KMT2A
SCHEMBL1155256 0.78 POLB (0.44) MAPTKMT2A
SCHEMBL2370569 0.76 MMP8 (0.41) AKR1C3AKR1C2MAPTRECQLKMT2A
SCHEMBL538763 0.76 MAPT (0.52) MAPTKMT2A
Methane SCHEMBL11382581 0.75 MAPT (0.51) MAPTKMT2A
SCHEMBL4534445 0.75 MAPT (0.37) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL11377194 0.75 ACHE (0.49) MAPTKMT2A
SCHEMBL17476583 0.74 MAPT (0.40) MAPTKMT2A

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 8 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 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 AKR1C3 2039/4885AKR1C2 2710/4885MAPT 3784/4885
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 AKR1C3 2039/4885AKR1C2 2710/4885MAPT 3784/4885

“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.