SCHEMBL1203552

SCHEMBL1203552

CCC(=O)Nc1cnc2ccc(NCc3ccc(F)cc3)nn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.57
PIM1 P11309 1/20 0.57
KDM4E B2RXH2 1/20 0.46
NTRK1 P04629 5/20 0.45
NTRK3 Q16288 3/20 0.45
NTRK2 Q16620 3/20 0.45
MKNK1 Q9BUB5 5/20 0.44
ALDH1A1 P00352 1/20 0.43
IKBKB O14920 1/20 0.43
TGFBR1 P36897 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL1202940 0.87 FYN (0.56) FYNPIM1MKNK1
SCHEMBL1202733 0.84 IKBKB (0.61) FYNIKBKB
SCHEMBL1203493 0.83 KDM4E (0.61) FYNPIM1KDM4ENTRK1NTRK3
SCHEMBL1202320 0.82 PIM1 (0.66) FYNPIM1KDM4ENTRK1NTRK3
SCHEMBL1202887 0.81 FYN (0.52) FYNPIM1KDM4EMKNK1ALDH1A1
SCHEMBL1202321 0.80 PIM1 (0.46) FYNPIM1KDM4ENTRK1NTRK3
SCHEMBL1202799 0.79 PIM1 (0.56) FYNPIM1KDM4ENTRK1NTRK3
SCHEMBL1202088 0.78 FYN (0.63) FYNPIM1KDM4ENTRK1NTRK3
SCHEMBL1203786 0.78 SMN1; SMN2 (0.56) FYNPIM1KDM4ENTRK1
SCHEMBL1202066 0.77 FYN (0.56) FYNPIM1KDM4ENTRK1NTRK3

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 403/4885PIM1 1/4885KDM4E 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.