SCHEMBL3311934

SCHEMBL3311934

COc1cc(CNC(=O)c2cccnc2)c(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL2354460 0.89 EPHX2 (0.44) ROCK2ROCK1MAPTCYP3A4
SCHEMBL13329972 0.85 EPHX2 (0.43) ROCK2ROCK1MAPTCYP3A4
SCHEMBL2354239 0.85 EPHX2 (0.43) ROCK2ROCK1CYP3A4
SCHEMBL2354414 0.85 EPHX2 (0.42) ROCK2ROCK1ALDH1A1CYP3A4
SCHEMBL3308176 0.83 CYP3A4 (0.42) L3MBTL1MAPTCYP3A4BLMMEN1
SCHEMBL2364053 0.81 CYP3A4 (0.49) ROCK2ROCK1ALDH1A1MAPTCYP3A4
SCHEMBL2363248 0.81 CYP3A4 (0.54) ROCK2ROCK1CYP3A4
SCHEMBL3311096 0.80 CYP3A4 (0.42) ROCK2ROCK1ALDH1A1CYP3A4
SCHEMBL3308708 0.78 HPGD (0.51) L3MBTL1ALDH1A1NPSR1MAPTCYP1A2
SCHEMBL2364475 0.77 CYP3A4 (0.42) L3MBTL1MAPTCYP3A4TSHRBLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US claimed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US claimed

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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B MAPK1 2485/4885ROCK2 3367/4885ROCK1 2345/4885

“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.