SCHEMBL1203261

SCHEMBL1203261

O=[N+]([O-])c1cnc2ccc(-c3ccccc3)nn12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.52
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KCNH2 Q12809 1/20 0.43
DYRK1A Q13627 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1202203 0.76 FYN (0.59) FYNHSD17B10KDM4EDYRK1ANPC1
SCHEMBL1202690 0.76 HTT (0.41) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL430605 0.75 TNF (0.50) KDM4EDYRK1AALDH1A1SMN1; SMN2
SCHEMBL7984001 0.75 CYP1A2 (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2902233 0.75 CYP1A2 (0.46) FYNKDM4EALDH1A1HPGD
SCHEMBL103055 0.74 FYN (0.85) FYNDYRK1A
SCHEMBL16866295 0.73 FYN (0.59) FYNHSD17B10KDM4EDYRK1ANPC1
SCHEMBL8089315 0.73 CYP1A2 (0.37) KDM4EDYRK1AALDH1A1
SCHEMBL22834815 0.72 CYP1A2 (0.47) FYNHSD17B10KDM4EDYRK1AHPGD
SCHEMBL31668867 0.72 CYP1A2 (0.43) FYNKDM4EKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 US disclosed
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 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 (1 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-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 FYN 403/4885HSD17B10 3479/4885KDM4E 698/4885

“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.