SCHEMBL5409812

SCHEMBL5409812

COc1ccc2c(cnn2C(C)=O)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GSK3A P49840 1/20 0.40
LIMK1 P53667 1/20 0.40
IKBKE Q14164 1/20 0.40
MAPK14 Q16539 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
GAA P10253 1/20 0.37
SHMT2 P34897 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL25366934 0.85 CHEK1 (0.42) MEN1KMT2ANPC1RAB9ACHEK1
SCHEMBL2427228 0.77 AR (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL12293662 0.77 CHEK1 (0.39) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1142048 0.76 NPC1 (0.49) MEN1KMT2ANPC1RAB9ACHEK1
SCHEMBL9941383 0.74 CHEK1 (0.40) MEN1KMT2ANPC1RAB9ACHEK1
SCHEMBL5410344 0.72 CHEK1 (0.41) MEN1KMT2ANPC1RAB9ACHEK1
SCHEMBL5418740 0.71 CHEK1 (0.38) MEN1KMT2ANPC1RAB9ACHEK1
SCHEMBL12499934 0.69 CFTR (0.42) MEN1KMT2ANPC1CHEK1AURKA
SCHEMBL16227960 0.69 CHEK1 (0.36) KMT2ANPC1RAB9ACHEK1AURKA
SCHEMBL29691311 0.68 KMT2A (0.38) MEN1KMT2ANPC1RAB9AMAPT

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA MEN1 2593/4885KMT2A 2296/4885NPC1 837/4885

“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.