SCHEMBL4300650

SCHEMBL4300650

CCOC(=O)c1cn(-c2ccncc2)nc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.59
MAPK1 P28482 1/20 0.59
DGAT1 O75907 8/20 0.59
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43

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
SCHEMBL408172 0.89 NPSR1 (0.60) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL408901 0.88 NPC1 (0.60) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL24303811 0.86 CA12 (0.56) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL408365 0.86 DGAT1 (0.59) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL4299394 0.86 DGAT1 (0.61) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL4298343 0.85 DGAT1 (0.67) DGAT1NPC1RAB9ALMNAALDH1A1
SCHEMBL22324675 0.85 DGAT1 (0.55) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL6178854 0.83 DGAT1 (0.51) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL408173 0.82 NPC1 (0.45) NPSR1MAPK1DGAT1NPC1RAB9A
SCHEMBL19795577 0.82 JUN (0.50) NPSR1MAPK1DGAT1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 NPSR1 3199/4885MAPK1 2663/4885DGAT1 3/4885

“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.