SCHEMBL3499006

SCHEMBL3499006

O=C(O)Nc1cn2nc(Sc3ccccc3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
NOTUM Q6P988 1/20 0.42
CSNK1D P48730 11/20 0.39
CSNK1E P49674 10/20 0.39
MAPT P10636 2/20 0.39
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.37

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
SCHEMBL12664082 0.88 CSNK1D (0.42) TP53NOTUMCSNK1DCSNK1EMAPT
SCHEMBL9375937 0.81 TP53 (0.49) TP53CSNK1DCSNK1EMAPTRXFP1
SCHEMBL253680 0.81 CSNK1D (0.44) CSNK1DCSNK1E
SCHEMBL2516614 0.75 KDR (0.48) CSNK1DCSNK1E
SCHEMBL3486298 0.75 PIK3CA (0.40) CSNK1DCSNK1E
SCHEMBL3486383 0.75 CSNK1D (0.42) CSNK1DCSNK1E
SCHEMBL2514165 0.74 NOTUM (0.40) TP53NOTUMMAPTMAPK14MAPK13
SCHEMBL2514251 0.74 KDR (0.52) CSNK1DCSNK1E
SCHEMBL12664754 0.73 NOTUM (0.48) TP53NOTUMMAPTRXFP1
SCHEMBL2520218 0.73 CSNK1D (0.49) 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 7 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 claimed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US claimed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 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-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

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 TP53 49/4885NOTUM 1910/4885CSNK1D 3234/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 TP53 49/4885NOTUM 1910/4885CSNK1D 3234/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 TP53 49/4885NOTUM 1910/4885CSNK1D 3234/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 TP53 44/4885NOTUM 2734/4885CSNK1D 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.