SCHEMBL5412894

SCHEMBL5412894

CCSc1c(O)ccc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ IDO1 P14902 3/20 0.38
▸ JAK2 O60674 5/20 0.36
▸ JAK1 P23458 5/20 0.36
▸ TYK2 P29597 5/20 0.36
▸ JAK3 P52333 5/20 0.36
▸ NOS1 P29475 3/20 0.36
▸ AXL P30530 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ P4HB P07237 2/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ METAP2 P50579 1/20 0.33

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
SCHEMBL5408184 0.83 IDO1 (0.40) IDO1JAK2JAK1TYK2JAK3
SCHEMBL5401942 0.76 CDK2 (0.40) IDO1JAK2JAK1TYK2JAK3
SCHEMBL5404343 0.73 FGFR1 (0.44) IDO1JAK2JAK1TYK2JAK3
SCHEMBL21437262 0.72 NOS1 (0.44) IDO1NOS1AXLFGFR1P4HB
SCHEMBL5410281 0.70 BRD4 (0.36) IDO1JAK2JAK1TYK2JAK3
SCHEMBL5412653 0.69 NOS1 (0.50) IDO1JAK2JAK1TYK2JAK3
SCHEMBL31740241 0.69 TRPA1 (0.47) IDO1JAK2JAK1TYK2JAK3
SCHEMBL5421701 0.69 TRPA1 (0.47) IDO1JAK2JAK1TYK2JAK3
SCHEMBL5413400 0.69 NOS1 (0.50) IDO1NOS1AXLFGFR1P4HB
SCHEMBL5412686 0.69 BRD4 (0.47) IDO1JAK2JAK1TYK2JAK3

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 SMN1; SMN2 3394/4885IDO1 2940/4885JAK2 929/4885

“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.

Send feedback