SCHEMBL4470583

SCHEMBL4470583

Nc1ccc(CC2=NNC(=O)/C2=C2/C=Cc3ccccc3N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
GSK3B P49841 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR6 P50406 2/20 0.30

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
SCHEMBL4470585 1.00 MAPT (0.37) MAPTGAAGSK3BL3MBTL1CA12
SCHEMBL4460439 0.91 GAA (0.40) MAPTGAA
SCHEMBL4460435 0.91 GAA (0.40) MAPTGAA
SCHEMBL4460455 0.82 SMN1; SMN2 (0.41) MAPTGAAL3MBTL1ALDH1A1CYP3A4
SCHEMBL4464344 0.82 HPGD (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL4464349 0.82 HPGD (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL4460453 0.82 SMN1; SMN2 (0.41) MAPTGAAL3MBTL1ALDH1A1CYP3A4
SCHEMBL5999321 0.80 PKM (0.34) MAPTGAAGSK3BALDH1A1TSHR
SCHEMBL4462771 0.80 PKM (0.34) MAPTGAAGSK3BALDH1A1TSHR
SCHEMBL4460256 0.78 MAPT (0.46) MAPTGAAGSK3BRAB9ASMN1; SMN2

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 3059/4885GSK3B 387/4885

“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.