SCHEMBL2497388

SCHEMBL2497388

COC(=O)Cc1ccc2ncncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.51
AR P10275 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 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
SCHEMBL2492167 0.82 EGFR (0.49) EGFRARALDH1A1KDM4EGAA
SCHEMBL19338493 0.81 EGFR (0.51) EGFRARALDH1A1NPC1KDM4E
SCHEMBL2495282 0.80 AR (0.49) EGFRARNAMPT
SCHEMBL21190208 0.79 ALDH1A1 (0.47) ALDH1A1NPC1KDM4EMAPK1GAA
SCHEMBL2699459 0.79 ALDH1A1 (0.55) ALDH1A1NPC1KDM4EMAPK1GAA
SCHEMBL3153818 0.79 NPC1 (0.45) ALDH1A1NPC1KDM4EMAPK1GAA
SCHEMBL359850 0.78 ALOX15 (0.58) ALDH1A1NPC1KDM4EMAPK1RAB9A
SCHEMBL23246917 0.77 ALDH1A1 (0.43) ALDH1A1NPC1KDM4EMAPK1GAA
SCHEMBL15519501 0.76 ALDH1A1 (0.44) EGFRALDH1A1NPC1KDM4EMAPK1
SCHEMBL21620954 0.76 ALDH1A1 (0.61) ALDH1A1NPC1KDM4EGAAGFER

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 22/4885AR 2493/4885ALDH1A1 1429/4885
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 EGFR 22/4885AR 2493/4885ALDH1A1 1429/4885

“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.