SCHEMBL2493574

SCHEMBL2493574

CCC(C)OC(=O)C(C(=O)O)c1ccc2ncncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.39
AKR1C3 P42330 6/20 0.38
AKR1C2 P52895 6/20 0.38
AR P10275 1/20 0.37
MAPT P10636 1/20 0.34
NAMPT P43490 1/20 0.34
AKR1C1 Q04828 1/20 0.33
PTGS1 P23219 1/20 0.33
FGFR4 P22455 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 3/20 0.32
PPARA Q07869 1/20 0.32
GABRA6 Q16445 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
SCHEMBL2492162 0.80 OGA (0.40) AKR1C3AKR1C2MAPTPTGS2ALDH1A1
SCHEMBL2493571 0.79 EGFR (0.46) EGFRAKR1C3AKR1C2ARNAMPT
SCHEMBL19338459 0.74 EGFR (0.41) EGFRARNAMPTFGFR4ALDH1A1
SCHEMBL2619213 0.74 EGFR (0.50) EGFRARFGFR4ALDH1A1
SCHEMBL11377194 0.73 ACHE (0.49) MAPTALDH1A1TSHRPPARA
SCHEMBL4805443 0.72 OXTR (0.41) MAPTALDH1A1
SCHEMBL10322728 0.72 MAPT (0.38) AKR1C3AKR1C2ARMAPTPTGS2
SCHEMBL2498299 0.72 AKR1C3 (0.40) AKR1C3AKR1C2MAPTPTGS2GABRA1
SCHEMBL3986465 0.72 MAPT (0.36) AKR1C3AKR1C2MAPTPTGS2ALDH1A1
SCHEMBL4068945 0.72 MAPT (0.43) AKR1C3AKR1C2MAPTPTGS2ALDH1A1

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 EGFR 22/4885AKR1C3 2039/4885AKR1C2 2710/4885
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 EGFR 22/4885AKR1C3 2039/4885AKR1C2 2710/4885

“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.