SCHEMBL7956446

SCHEMBL7956446

COc1cccc(CNC(=S)NNC(=O)c2c[nH]c3ncccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.57
▸ ROCK1 Q13464 4/20 0.57
▸ FGFR1 P11362 1/20 0.54
▸ FGFR4 P22455 1/20 0.54
▸ KMT2A Q03164 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ GABRP O00591 2/20 0.50
▸ GABRD O14764 2/20 0.50
▸ GABRA1 P14867 2/20 0.50
▸ GABRB1 P18505 2/20 0.50
▸ GABRG2 P18507 2/20 0.50
▸ GABRB3 P28472 2/20 0.50
▸ GABRA5 P31644 2/20 0.50
▸ GABRA3 P34903 2/20 0.50
▸ GABRA2 P47869 2/20 0.50
▸ GABRB2 P47870 2/20 0.50
▸ GABRA4 P48169 2/20 0.50
▸ GABRE P78334 2/20 0.50
▸ GABRA6 Q16445 2/20 0.50
▸ GABRG1 Q8N1C3 2/20 0.50

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
SCHEMBL12409358 0.77 MAP2K1 (0.57) ROCK1KMT2AMAP2K1MAPTADORA2A
SCHEMBL4350169 0.74 FGFR1 (0.56) ROCK2ROCK1FGFR1FGFR4KMT2A
SCHEMBL4350176 0.74 FGFR1 (0.56) ROCK2ROCK1FGFR1FGFR4KMT2A
SCHEMBL12506920 0.74 ROCK2 (0.51) ROCK2ROCK1KMT2APRKACAPRKACG
SCHEMBL1363563 0.74 MAP2K1 (0.60) ROCK2ROCK1FGFR1FGFR4KMT2A
SCHEMBL414462 0.74 FGFR1 (0.67) ROCK2ROCK1FGFR1FGFR4KMT2A
SCHEMBL13887792 0.74 ROCK1 (0.56) ROCK2ROCK1FGFR1FGFR4KMT2A
SCHEMBL4474000 0.73 ROCK1 (0.60) ROCK2ROCK1FGFR1FGFR4KMT2A
SCHEMBL13887774 0.73 ROCK1 (0.60) ROCK2ROCK1FGFR1FGFR4KMT2A
SCHEMBL4476811 0.73 ROCK1 (0.58) ROCK2ROCK1FGFR1FGFR4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 — — US disclosed
US-8466170-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2013-06-18 — — US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 — — US disclosed
US-20110166175-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-07 — — US disclosed
WO-2010020308-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 — — 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-20110166175-A1 7-AZAINDOLE DERIVATIVES JAK3, AZI2, MYLK2 ROCK2 810/4885ROCK1 488/4885FGFR1 434/4885

“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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