SCHEMBL4459200

SCHEMBL4459200

CC1=NNC(=O)/C1=C1/C=Cc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX4 Q99571 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACVR1 Q04771 2/20 0.31
LRRK2 Q5S007 2/20 0.31
ROS1 P08922 1/20 0.31
CDK5 Q00535 1/20 0.31
GSK3B P49841 2/20 0.31
CDC7 O00311 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
CDK2 P24941 1/20 0.31
CLK4 Q9HAZ1 1/20 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
SCHEMBL4459207 1.00 MAPT (0.46) MAPTGAACA12CA1CA2
SCHEMBL4460259 0.81 MAPT (0.46) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL4460256 0.81 MAPT (0.46) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL4460352 0.79 MAPT (0.43) MAPTGAASMN1; SMN2KDM4E
SCHEMBL4460358 0.79 MAPT (0.43) MAPTGAASMN1; SMN2KDM4E
SCHEMBL4477020 0.77 GAA (0.41) MAPTGAAP2RX4
SCHEMBL4477021 0.77 GAA (0.41) MAPTGAAP2RX4
SCHEMBL4462876 0.76 MAPT (0.38) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL4462878 0.76 MAPT (0.38) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL4460435 0.76 GAA (0.40) MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US claimed
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP claimed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO claimed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 US claimed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-7550598-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
EP-1778669-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-05-02 EP disclosed
WO-2006023931-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-03-02 WO disclosed
US-20060041137-A1 Kinase inhibitors TAKEDA SAN DIEGO, INC. 2006-02-23 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 (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-20060041137-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K1 MAPT 2532/4885GAA 3059/4885CA12 4823/4885

“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.