SCHEMBL2575332

SCHEMBL2575332

COCNC(=O)c1ccc2ncccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.66
HTT P42858 1/20 0.66
PLK1 P53350 1/20 0.66
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 1/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.51
BCAT1 P54687 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 1/20 0.50
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49

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
SCHEMBL28071106 0.86 PLK1 (0.61) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL28071020 0.84 TAS1R3 (0.59) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL1644905 0.83 MEN1 (0.61) RAB9ANPC1HDAC1HDAC2ALDH1A1
SCHEMBL13491356 0.83 ALOX15 (0.57) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL31419202 0.83 PLK1 (0.72) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL3492806 0.83 PLK1 (0.72) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL28071104 0.82 ALOX15 (0.71) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL1680321 0.81 PLK1 (0.66) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL16621111 0.81 PLK1 (0.66) ALOX15HTTPLK1TAS1R3TAS1R1
SCHEMBL13491384 0.81 ALOX15 (0.55) ALOX15HTTPLK1TAS1R3TAS1R1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2018383-B1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS PFIZER PROD INC (US) 2011-11-09 EP disclosed
EP-2265614-A1 IMIDAZO [1,2-B]PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE Novartis AG (CH) 2010-12-29 EP disclosed
US-7732604-B2 Triazolopyrazine derivatives PFIZER INC. (US) 2010-06-08 US disclosed
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2010-04-29 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
WO-2009106577-A1 IMIDAZO [1,2-B] PYRIDAZINE DERIVATIVES FOR THE TREATMENT OF C-MET TYROSINE KINASE MEDIATED DISEASE NOVARTIS AG (CH) 2009-09-03 WO disclosed
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION 2009-02-12 US disclosed
EP-2018383-A1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Pfizer Products Inc. (US) 2009-01-28 EP disclosed
US-7468446-B2 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION (US) 2008-12-23 US disclosed
WO-2007132308-A1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070265272-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2007-11-15 US disclosed
EP-1794139-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-13 EP disclosed
WO-2006028963-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-16 WO disclosed
US-20060052596-A1 Substituted heterocyclic compounds and uses thereof CELGENE CORPORATION 2006-03-09 US 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 (5 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-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES MET, ERBB2, ALK ALOX15 3630/4885HTT 3764/4885PLK1 1104/4885
US-20070265272-A1 TRIAZOLOPYRAZINE DERIVATIVES JAK2, ABL1, CCND2 ALOX15 4343/4885HTT 1869/4885PLK1 381/4885
US-20060052596-A1 Substituted heterocyclic compounds and uses thereof NQO1, LTC4S, VHL ALOX15 171/4885HTT 235/4885PLK1 4432/4885
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES JAK2, ABL1, CCND2 ALOX15 4343/4885HTT 1869/4885PLK1 381/4885
US-20090042875-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND USES THEREOF NQO1, LTC4S, VHL ALOX15 171/4885HTT 235/4885PLK1 4432/4885

“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.