SCHEMBL1163211

SCHEMBL1163211

CCOC(=O)C(F)(F)c1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.52
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ ALOX5 P09917 2/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ PABPC1 P11940 1/20 0.40
▸ BRAF P15056 1/20 0.40

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
SCHEMBL3001120 0.88 ALOX5 (0.46) ACSS2ALOX15HTTALDH1A1NPC1
SCHEMBL11013012 0.86 MAOB (0.47) ALOX15HTTKDM4EALDH1A1NPC1
SCHEMBL2496975 0.85 ALOX15 (0.56) ALOX15HTTALDH1A1NPC1RAB9A
SCHEMBL13227687 0.83 HTT (0.46) ALOX15HTTKDM4EALDH1A1NPC1
SCHEMBL9924303 0.82 HTT (0.50) ALOX15HTTKDM4EALDH1A1NPC1
SCHEMBL2698205 0.79 PABPC1 (0.50) ALOX15HTTKDM4EALDH1A1NPC1
SCHEMBL9910478 0.78 NPC1 (0.48) ALOX15HTTKDM4EALDH1A1NPC1
SCHEMBL30421806 0.78 NPC1 (0.48) ALOX15HTTKDM4EALDH1A1NPC1
SCHEMBL1696435 0.77 NPC1 (0.47) ALOX15HTTKDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL2698455 0.77 NPC1 (0.47) ALOX15HTTKDM4EALDH1A1NPC1

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969955-B [1,2,4] triazole [4,3-b ] pyridazine compound and preparation method and application thereof 中国药科大学 2023-12-19 — — CN disclosed
CN-116969955-A [1,2,4] triazole [4,3-b ] pyridazine compound and preparation method and application thereof 中国药科大学 2023-10-31 — — CN disclosed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 — — EP disclosed
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-8629144-B2 Polymorphic and hydrate forms, salts and process for preparing 6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline JANSSEN PHARMACEUTICA NV (BE) 2014-01-14 — — US disclosed
US-8629144-B2 Polymorphic and hydrate forms, salts and process for preparing 6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline JANSSEN PHARMACEUTICA NV (BE) 2014-01-14 — — US disclosed
US-8629144-B2 Polymorphic and hydrate forms, salts and process for preparing 6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}quinoline JANSSEN PHARMACEUTICA NV (BE) 2014-01-14 — — US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 — — US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 — — US disclosed
EP-2170894-A1 POLYMORPHIC AND HYDRATE FORMS, SALTS AND PROCESS FOR PREPARING 6-{DIFLUORO[6-(1-METHYL-1H-PYRAZOL-4-YL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL]METHYL}QUINOLINE JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-07 — — EP disclosed
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-16 — — US disclosed
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-16 — — US disclosed
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-16 — — US disclosed
WO-2008155378-A1 POLYMORPHIC AND HYDRATE FORMS, SALTS AND PROCESS FOR PREPARING 6-{DIFLUORO[6-(1-METHYL-1H-PYRAZOL-4-YL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL]METHYL}QUINOLINE JANSSEN PHARMACEUTICA NV (BE) 2008-12-24 — — WO disclosed
WO-2008155378-A1 POLYMORPHIC AND HYDRATE FORMS, SALTS AND PROCESS FOR PREPARING 6-{DIFLUORO[6-(1-METHYL-1H-PYRAZOL-4-YL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL]METHYL}QUINOLINE JANSSEN PHARMACEUTICA NV (BE) 2008-12-24 — — WO disclosed
US-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-30 — — US disclosed
US-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-30 — — US 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 ACSS2 3603/4885ALOX15 4241/4885HTT 3089/4885
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 ACSS2 3603/4885ALOX15 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.

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