SCHEMBL10215305

SCHEMBL10215305

O=C(O)c1cc(O)c2cc(-c3cn[nH]c3)cc(C(F)(F)F)c2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPRS1 P07814 1/20 0.36
▸ ASPH Q12797 1/20 0.35
▸ IGFBP3 P17936 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ ROCK2 O75116 5/20 0.33
▸ ROCK1 Q13464 3/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ GRK2 P25098 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ P2RY14 Q15391 1/20 0.32
▸ ERN1 O75460 1/20 0.32

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
SCHEMBL10215319 0.85 ROCK2 (0.45) ROCK2ROCK1
SCHEMBL10215307 0.82 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL10215355 0.82 LDHA (0.45) EPRS1IGFBP3KMOSLC6A2P2RY14
SCHEMBL10215318 0.81 ROCK2 (0.52) ROCK2ROCK1
SCHEMBL10215316 0.81 ROCK2 (0.48) ROCK2ROCK1
SCHEMBL10215313 0.80 ROCK2 (0.42) ROCK2ROCK1BLM
SCHEMBL10215310 0.79 ROCK2 (0.38) ROCK2ROCK1BLM
SCHEMBL10215315 0.78 ROCK2 (0.37) ROCK2ROCK1BLM
SCHEMBL10216316 0.77 ROCK2 (0.44) ROCK2ROCK1
SCHEMBL10216302 0.77 ROCK2 (0.37) ROCK2ROCK1GRK2

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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 — — US disclosed
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 — — US disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 — — WO 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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 EPRS1 2425/4885ASPH 2559/4885IGFBP3 586/4885

“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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