SCHEMBL2494747

SCHEMBL2494747

COC(=O)Oc1ccc2ncccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
ALOX15 P16050 1/20 0.60
HTT P42858 1/20 0.60
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
CYP3A4 P08684 1/20 0.53
PLK1 P53350 1/20 0.52
POLB P06746 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
MET P08581 3/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
KIT P10721 1/20 0.46
FGFR2 P21802 1/20 0.46
AXL P30530 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL3161907 0.84 ALDH1A1 (0.71) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL16866257 0.84 ALDH1A1 (0.66) ALDH1A1ALOX15HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL27728003 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL19924516 0.83 ALDH1A1 (0.69) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL5267380 0.83 ALDH1A1 (0.68) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL3171559 0.81 ALDH1A1 (0.67) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL6985088 0.81 ALDH1A1 (0.67) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL827308 0.81 ALDH1A1 (0.61) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL28065837 0.81 ALDH1A1 (0.66) ALDH1A1ALOX15HTTNPC1RAB9A
SCHEMBL16005429 0.81 ALDH1A1 (0.66) ALDH1A1ALOX15HTTNPC1RAB9A

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 11 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
US-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-30 US disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
EP-0682017-B1 Substituted bicycle heteroaroylguanidines, their preparation and their application in medicaments and diagnostic agents HOECHST AG (DE) 1999-08-11 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed
EP-0682017-A1 Substituted bicycle heteroaroylguanidines, their preparation and their application in medicaments and diagnostic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 EP 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 ALDH1A1 1429/4885ALOX15 4241/4885HTT 3089/4885
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 ALDH1A1 1429/4885ALOX15 4241/4885HTT 3089/4885

“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.