SCHEMBL4462876

SCHEMBL4462876

CC(=O)NC1=NNC(=O)/C1=C1/C=Cc2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 1/20 0.34
P2RX4 Q99571 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
NAPRT Q6XQN6 1/20 0.32
CASP3 P42574 1/20 0.32
LMNA P02545 2/20 0.31
TGM2 P21980 1/20 0.31
HTT P42858 1/20 0.31
IDO1 P14902 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 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
SCHEMBL4462878 1.00 MAPT (0.38) MAPTGAASMN1; SMN2RAB9AMAOA
SCHEMBL4470653 0.88 MAPT (0.42) MAPTGAASMN1; SMN2RAB9AMAOA
SCHEMBL4470643 0.88 MAPT (0.42) MAPTGAASMN1; SMN2RAB9AMAOA
SCHEMBL4474662 0.88 SMN1; SMN2 (0.39) MAPTGAASMN1; SMN2RAB9AP2RX4
SCHEMBL4474657 0.88 SMN1; SMN2 (0.39) MAPTGAASMN1; SMN2RAB9AP2RX4
SCHEMBL4462146 0.85 MAPT (0.37) MAPTGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL4462142 0.85 MAPT (0.37) MAPTGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL4467058 0.84 SMN1; SMN2 (0.41) MAPTGAASMN1; SMN2RAB9AMAOA
SCHEMBL4467054 0.84 SMN1; SMN2 (0.41) MAPTGAASMN1; SMN2RAB9AMAOA
SCHEMBL4464440 0.79 SMN1; SMN2 (0.41) MAPTGAASMN1; SMN2RAB9AMAOA

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-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-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 3059/4885SMN1; SMN2 4388/4885

“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.