SCHEMBL5401778

SCHEMBL5401778

Cc1c(O[C@@H]2CCC[C@H](NC(=O)C3CCOC3)C2)ccc2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.37
TRPV1 Q8NER1 5/20 0.36
CDK9 P50750 3/20 0.36
PIK3CD O00329 1/20 0.36
MAP4K1 Q92918 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL5401787 1.00 KDM5A (0.37) KDM5ATRPV1CDK9PIK3CDMAP4K1
SCHEMBL5401784 1.00 KDM5A (0.37) KDM5ATRPV1CDK9PIK3CDMAP4K1
SCHEMBL5408206 0.90 MAP4K1 (0.41) TRPV1MAP4K1
SCHEMBL5408211 0.90 MAP4K1 (0.41) TRPV1MAP4K1
SCHEMBL5408202 0.90 MAP4K1 (0.41) TRPV1MAP4K1
SCHEMBL5405688 0.89 CCNA2 (0.43) KDM5ATRPV1PIK3CDMAP4K1CCNA2
SCHEMBL5405682 0.89 CCNA2 (0.43) KDM5ATRPV1PIK3CDMAP4K1CCNA2
SCHEMBL5416473 0.89 CCNA2 (0.43) KDM5ATRPV1PIK3CDMAP4K1CCNA2
SCHEMBL5410771 0.89 POLB (0.40) TRPV1MAP4K1
SCHEMBL5410765 0.89 POLB (0.40) TRPV1MAP4K1

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 KDM5A 2551/4885TRPV1 4181/4885CDK9 693/4885

“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.