SCHEMBL1203077

SCHEMBL1203077

O=C(Nc1cccnc1)c1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.55
IKBKB O14920 15/20 0.54
CHUK O15111 2/20 0.49
MAPK10 P53779 1/20 0.49
CDK2 P24941 1/20 0.48
NTRK1 P04629 2/20 0.47

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
SCHEMBL1202618 0.91 FYN (0.61) FYNIKBKBCHUKMAPK10CDK2
SCHEMBL1203385 0.86 IKBKB (0.56) FYNIKBKBCHUKMAPK10CDK2
SCHEMBL1202134 0.84 IKBKB (0.65) FYNIKBKBCHUKMAPK10CDK2
SCHEMBL1202657 0.84 FYN (0.72) FYNIKBKBCHUKMAPK10CDK2
SCHEMBL1203467 0.82 IKBKB (0.76) FYNIKBKBCHUKMAPK10CDK2
SCHEMBL2905622 0.81 FYN (0.72) FYNIKBKBCHUKMAPK10CDK2
SCHEMBL1203118 0.81 IKBKB (0.56) FYNIKBKBCHUKMAPK10CDK2
Hydrochloric Acid SCHEMBL1202037 0.80 FYN (0.71) FYNIKBKBCHUKMAPK10CDK2
SCHEMBL1202561 0.80 IKBKB (0.58) FYNIKBKBCHUKMAPK10CDK2
SCHEMBL1203046 0.80 MAOB (0.52) FYNIKBKBCHUKMAPK10CDK2

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 403/4885IKBKB 297/4885CHUK 74/4885

“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.