SCHEMBL3500440

SCHEMBL3500440

CN(C)CC(=O)Nc1cn2nc(I)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.43
MKNK1 Q9BUB5 1/20 0.41
CSNK1D P48730 7/20 0.39
CSNK1E P49674 6/20 0.39
PARP1 P09874 3/20 0.37
PIK3CA P42336 4/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2517479 0.85 PIK3CG (0.43) RIPK1CSNK1DCSNK1EPIK3CA
SCHEMBL2516569 0.82 PIK3CG (0.46) RIPK1CSNK1DCSNK1EPIK3CAMAPT
SCHEMBL2518350 0.81 PIK3CA (0.49) RIPK1PIK3CA
SCHEMBL3486298 0.79 PIK3CA (0.40) CSNK1DCSNK1EPIK3CA
SCHEMBL2514336 0.79 TTK (0.43) CSNK1DCSNK1E
SCHEMBL4026143 0.77 CSNK1D (0.45) CSNK1DPIK3CA
SCHEMBL245728 0.75 KDR (0.56) CSNK1DCSNK1E
SCHEMBL252684 0.74 PIK3CA (0.39) RIPK1CSNK1DCSNK1EPIK3CA
SCHEMBL254022 0.74 TTK (0.42) CSNK1DCSNK1EPIK3CA
SCHEMBL2519360 0.73 KDR (0.42) CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RIPK1 1613/4885MKNK1 847/4885CSNK1D 3234/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RIPK1 1613/4885MKNK1 847/4885CSNK1D 3234/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RIPK1 1613/4885MKNK1 847/4885CSNK1D 3234/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 RIPK1 1498/4885MKNK1 774/4885CSNK1D 2983/4885

“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.