SCHEMBL3728019

SCHEMBL3728019

Clc1ccc2nc(-c3ccc(I)o3)c(I)n2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TNF P01375 2/20 0.33
NTRK1 P04629 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
DYRK1A Q13627 6/20 0.31
DYRK2 Q92630 6/20 0.31
DYRK3 O43781 5/20 0.31
CCNA2 P20248 5/20 0.31
CDK2 P24941 5/20 0.31
CDK5 Q00535 5/20 0.31
CDK5R1 Q15078 5/20 0.31
DYRK1B Q9Y463 5/20 0.31
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31

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
SCHEMBL3721379 0.78 ALDH1A1 (0.43) MKNK1ALDH1A1KDM4ESMN1; SMN2TNF
SCHEMBL3108672 0.74 AKT1 (0.41) ALDH1A1KDM4ESMN1; SMN2TNFNTRK1
SCHEMBL3115930 0.74 NTRK1 (0.50) MKNK1ALDH1A1KDM4ESMN1; SMN2TNF
SCHEMBL1745899 0.73 DYRK1A (0.41) ALDH1A1KDM4ESMN1; SMN2TNFNTRK1
SCHEMBL1394183 0.72 AKT1 (0.40) MKNK1ALDH1A1KDM4ESMN1; SMN2TNF
SCHEMBL3721378 0.71 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2TNFNTRK1
SCHEMBL3726451 0.70 FYN (0.40) ALDH1A1KDM4ESMN1; SMN2NTRK1DYRK1A
SCHEMBL3724143 0.70 GAA (0.38) ALDH1A1KDM4ESMN1; SMN2NTRK1AKT1
SCHEMBL18817029 0.69 KDM4E (0.44) MKNK1ALDH1A1KDM4ESMN1; SMN2TNF
SCHEMBL477062 0.69 KDM4E (0.44) MKNK1ALDH1A1KDM4ESMN1; SMN2TNF

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-20130190314-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-07-25 US disclosed
EP-2398802-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI (FR) 2011-12-28 EP disclosed
WO-2010070237-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-06-24 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-20130190314-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE, PREPARATION AND THERAPEUTIC USE THEREOF CSNK2A1, CSNK1A1, CSNK2A2 MKNK1 200/4885ALDH1A1 2714/4885KDM4E 2051/4885

“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.