SCHEMBL5406062

SCHEMBL5406062

Cc1cc2[nH]ncc2cc1C(=O)NC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.53
▸ SMYD3 Q9H7B4 2/20 0.47
▸ ROCK2 O75116 3/20 0.46
▸ ROCK1 Q13464 3/20 0.46
▸ RPS6KB1 P23443 1/20 0.44
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ CNR2 P34972 2/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5412581 0.81 MAPK14 (0.62) MAPK14SMYD3ROCK2ROCK1HPGDS
SCHEMBL5401711 0.78 MAPK14 (0.61) MAPK14SMYD3ROCK2ROCK1RPS6KB1
SCHEMBL5401716 0.78 MAPK14 (0.61) MAPK14SMYD3ROCK2ROCK1RPS6KB1
SCHEMBL13373349 0.77 NPC1 (0.52) SMYD3CNR2NPC1LMNARAB9A
SCHEMBL5421991 0.77 DYRK1A (0.46) MAPK14ROCK2ROCK1RPS6KB1CCNA2
SCHEMBL13161955 0.76 ABL1 (0.46) PDE4BCNR2LMNASMN1; SMN2HPGDS
SCHEMBL13161967 0.73 LMNA (0.47) PDE4BCNR2NPC1LMNARAB9A
SCHEMBL5421983 0.73 MAPK14 (0.55) MAPK14SMYD3ROCK2ROCK1HPGDS
SCHEMBL5421980 0.73 MAPK14 (0.55) MAPK14SMYD3ROCK2ROCK1HPGDS
SCHEMBL13162001 0.72 NPC1 (0.55) KDM4ENPC1LMNAMAPTRAB9A

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 MAPK14 156/4885SMYD3 2066/4885ROCK2 2/4885

“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.

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