SCHEMBL5401942

SCHEMBL5401942

CCc1c(O)ccc2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.40
▸ CCNA1 P78396 2/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ IDO1 P14902 3/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ NOS1 P29475 3/20 0.38
▸ AXL P30530 1/20 0.38
▸ JAK2 O60674 5/20 0.38
▸ JAK1 P23458 5/20 0.38
▸ TYK2 P29597 5/20 0.38
▸ JAK3 P52333 5/20 0.38
▸ USP7 Q93009 4/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ P4HB P07237 1/20 0.36
▸ KDM5A P29375 1/20 0.36

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
SCHEMBL20850537 0.80 CDK2 (0.43) CDK2CCNA1FLT3IDO1NOS1
SCHEMBL20850529 0.79 NOS1 (0.50) CDK2CCNA1FLT3IDO1NOS1
SCHEMBL14995563 0.79 NOS1 (0.50) CDK2CCNA1FLT3IDO1NOS1
SCHEMBL21891669 0.79 CDK2 (0.42) CDK2CCNA1FLT3IDO1NOS1
SCHEMBL19304040 0.76 BRD4 (0.44) CDK2CCNA1FLT3IDO1NOS1
SCHEMBL21217948 0.76 TRPA1 (0.39) CDK2CCNA1FLT3IDO1NOS1
SCHEMBL5412894 0.76 SMN1; SMN2 (0.38) CDK2CCNA1IDO1CCNA2NOS1
SCHEMBL5404343 0.76 FGFR1 (0.44) CDK2CCNA1IDO1CCNA2NOS1
SCHEMBL21196087 0.75 TRPA1 (0.41) CDK2CCNA1FLT3IDO1CCNA2
SCHEMBL21437262 0.75 NOS1 (0.44) CDK2CCNA1IDO1CCNA2NOS1

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 CDK2 443/4885CCNA1 750/4885FLT3 2042/4885

“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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