SCHEMBL1987939

SCHEMBL1987939

O=C(Nc1ccc(-c2ccncn2)c(F)c1)C1COc2ccccc2O1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.59
AKT1 P31749 1/20 0.59
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MDM2 Q00987 1/20 0.56
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
POLB P06746 2/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL1986047 0.86 ROCK2 (0.72) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL1986048 0.86 ROCK2 (0.72) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL1992425 0.84 ROCK2 (0.76) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL22158344 0.80 MAPT (0.57) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL1992678 0.79 MAPT (0.52) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL1987612 0.78 ROCK2 (0.72) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL12561862 0.77 ALDH1A1 (0.54) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL1990960 0.77 ROCK2 (0.73) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL1990954 0.77 ROCK2 (0.73) ROCK2AKT1MAPTALDH1A1L3MBTL1
SCHEMBL12602422 0.77 ROCK2 (0.74) ROCK2AKT1MAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885AKT1 31/4885MAPT 3442/4885

“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.