SCHEMBL5401679

SCHEMBL5401679

FC(F)(F)c1c(OC2CCCNCC2)ccc2[nH]ncc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 7/20 0.47
ROCK1 Q13464 3/20 0.38
ROCK2 O75116 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
METAP2 P50579 1/20 0.37
AXL P30530 1/20 0.36
SLC6A4 P31645 2/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH1 P35367 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34

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
SCHEMBL5415144 0.84 TIPARP (0.40) TIPARPROCK1ROCK2CDC42BPACDC42BPB
SCHEMBL5407739 0.81 TIPARP (0.41) TIPARPROCK1ROCK2CDC42BPACDC42BPB
SCHEMBL5413095 0.81 TIPARP (0.40) TIPARPAXL
SCHEMBL5412603 0.81 TIPARP (0.40) TIPARPAXL
SCHEMBL5412607 0.81 TIPARP (0.40) TIPARPAXL
SCHEMBL5418417 0.80 CDK2 (0.36) TIPARPROCK1AXLPIM1
SCHEMBL5404804 0.80 CDK2 (0.36) TIPARPROCK1AXLPIM1
SCHEMBL5404819 0.80 CDK2 (0.36) TIPARPROCK1AXLPIM1
SCHEMBL5418418 0.80 CDK2 (0.36) TIPARPROCK1AXLPIM1
SCHEMBL5404796 0.80 CDK2 (0.36) TIPARPROCK1AXLPIM1

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 TIPARP 1305/4885ROCK1 1/4885ROCK2 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.