SCHEMBL1203786

SCHEMBL1203786

COc1cccc(C(=O)Nc2cnc3ccc(NCc4ccc(F)cc4)nn23)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
VNN1 O95497 1/20 0.55
PIM1 P11309 3/20 0.52
MAPT P10636 1/20 0.49
FYN P06241 5/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 2/20 0.46
ADCY1 Q08828 1/20 0.46
NTRK1 P04629 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
SCHEMBL1202887 0.89 FYN (0.52) MEN1KMT2AVNN1PIM1FYN
SCHEMBL1202799 0.87 PIM1 (0.56) SMN1; SMN2PIM1FYNKDM4ENTRK1
SCHEMBL1203493 0.86 KDM4E (0.61) PIM1FYNKDM4ENTRK1
SCHEMBL1202730 0.83 NTRK1 (0.55) SMN1; SMN2MEN1KMT2AVNN1PIM1
SCHEMBL1202320 0.81 PIM1 (0.66) PIM1FYNKDM4ENTRK1
SCHEMBL1202385 0.78 FYN (0.47) PIM1FYNKDM4ENPC1RAB9A
SCHEMBL1203552 0.78 FYN (0.57) PIM1FYNKDM4ENTRK1
SCHEMBL1203279 0.78 IKBKB (0.62) FYN
SCHEMBL1202940 0.77 FYN (0.56) KMT2AVNN1PIM1FYNNPC1
SCHEMBL1203488 0.76 FYN (0.52) MEN1KMT2APIM1FYNNTRK1

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 SMN1; SMN2 4097/4885MEN1 2279/4885KMT2A 1247/4885

“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.