SCHEMBL5408031

SCHEMBL5408031

CC(Oc1ccc2[nH]ncc2c1)c1ccc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAOB P27338 2/20 0.42
ROCK2 O75116 9/20 0.40
ROCK1 Q13464 6/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.38
CCR2 P41597 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PRKG1 Q13976 1/20 0.38

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
SCHEMBL5417396 0.80 ESR1 (0.44) MEN1KMT2AMAOBROCK2ROCK1
SCHEMBL30141452 0.78 ROCK2 (0.42) MEN1KMT2AMAOBROCK2ROCK1
SCHEMBL5409358 0.78 MAOB (0.61) MEN1KMT2AMAOBROCK2ROCK1
SCHEMBL16023025 0.76 RAB9A (0.50) MEN1KMT2AMAOBROCK2ROCK1
SCHEMBL29728756 0.74 ROCK2 (0.58) MEN1KMT2AMAOBROCK2ROCK1
SCHEMBL264211 0.74 ROCK2 (0.58) MEN1KMT2AMAOBROCK2ROCK1
SCHEMBL30498934 0.73 KDR (0.56) NOS1
SCHEMBL30540770 0.73 KDR (0.56) NOS1
SCHEMBL5413632 0.72 ABL1 (0.46) MEN1KMT2AMAOBROCK2ROCK1
SCHEMBL16023281 0.72 ABL1 (0.46) MEN1KMT2AMAOBROCK2ROCK1

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 2296/4885MAOB 2025/4885

“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.