SCHEMBL3581272

SCHEMBL3581272

Cc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccc(C)cc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.58
ROCK2 O75116 9/20 0.53
MAPT P10636 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
LATS1 O95835 1/20 0.49
ROCK1 Q13464 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NTSR1 P30989 1/20 0.48
GBA1 P04062 1/20 0.48
MKNK1 Q9BUB5 2/20 0.48
CLK2 P49760 1/20 0.48
BLK P51451 1/20 0.48
CSNK2A1 P68400 1/20 0.48
STK3 Q13188 1/20 0.48
DYRK1A Q13627 1/20 0.48
AURKB Q96GD4 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL3587684 0.96 TGFBR1 (0.56) TGFBR1ROCK2MAPTABCG2LMNA
SCHEMBL3586795 0.94 TGFBR1 (0.54) TGFBR1ROCK2MAPTABCG2LMNA
SCHEMBL6694913 0.93 LATS1 (0.57) TGFBR1ROCK2MAPTABCG2LMNA
SCHEMBL3585279 0.92 TNIK (0.54) TGFBR1ROCK2ABCG2LATS1ROCK1
SCHEMBL3581577 0.92 TGFBR1 (0.54) TGFBR1ROCK2MAPTABCG2LMNA
SCHEMBL3586914 0.90 TGFBR1 (0.71) TGFBR1ROCK2MAPTABCG2LMNA
SCHEMBL6694965 0.88 MAPT (0.60) TGFBR1ROCK2MAPTABCG2LMNA
SCHEMBL3582617 0.87 ROCK2 (0.56) TGFBR1ROCK2MAPTABCG2ROCK1
SCHEMBL3592877 0.85 TGFBR1 (0.54) TGFBR1ROCK2MAPTABCG2LMNA
SCHEMBL3585900 0.85 TGFBR1 (0.64) TGFBR1ROCK2MAPTABCG2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US claimed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP claimed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 WO claimed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US disclosed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP disclosed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP disclosed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 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 (2 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-20060142313-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 TGFBR1 1599/4885ROCK2 3/4885MAPT 2039/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 TGFBR1 1599/4885ROCK2 3/4885MAPT 2039/4885

“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.