SCHEMBL5404571

SCHEMBL5404571

Oc1ccc2[nH]ncc2c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.50
P4HB P07237 2/20 0.45
TRPA1 O75762 2/20 0.44
METAP2 P50579 4/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
NOS1 P29475 3/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
CCNA2 P20248 1/20 0.36
PIK3CA P42336 1/20 0.36
FLT3 P36888 1/20 0.36
PBK Q96KB5 1/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 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
SCHEMBL25367669 0.80 AXL (0.51) AXLTRPA1METAP2IDO1NOS1
SCHEMBL28799165 0.79 NOS1 (0.50) AXLTRPA1METAP2IDO1TDO2
SCHEMBL18456308 0.79 AXL (0.50) AXLTRPA1METAP2IDO1NOS1
SCHEMBL29980240 0.79 NOS1 (0.50) AXLTRPA1METAP2IDO1TDO2
SCHEMBL2427200 0.78 AXL (0.46) AXLTRPA1METAP2CDK2CCNA1
SCHEMBL25367799 0.76 METAP2 (0.40) AXLTRPA1METAP2IDO1TDO2
SCHEMBL31740241 0.76 TRPA1 (0.47) AXLP4HBTRPA1METAP2IDO1
SCHEMBL5421701 0.76 TRPA1 (0.47) AXLP4HBTRPA1METAP2IDO1
SCHEMBL21437262 0.75 NOS1 (0.44) AXLP4HBMETAP2IDO1NOS1
SCHEMBL5417197 0.75 METAP2 (0.47) AXLTRPA1METAP2IDO1FLT3

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 AXL 1805/4885P4HB 4161/4885TRPA1 4808/4885

“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.