SCHEMBL22229591

SCHEMBL22229591

COc1ccc2cn(-c3nccc(-c4nccc(/C=C/c5ccnc6ccccc56)n4)n3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 4/20 0.35
HTT P42858 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
POLB P06746 2/20 0.35
CNR1 P21554 2/20 0.35

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
SCHEMBL30189498 0.84 ROCK2 (0.41) KDM4EMAPK1NPSR1ALDH1A1HPGD
SCHEMBL22229593 0.84 ROCK2 (0.41) KDM4EMAPK1NPSR1ALDH1A1HPGD
SCHEMBL22229649 0.78 NOS3 (0.38) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL22229647 0.69 ROCK2 (0.43) KDM4EMAPK1NPSR1
SCHEMBL30189396 0.69 ROCK2 (0.43) KDM4EMAPK1NPSR1
SCHEMBL22229567 0.67 KDM4E (0.33) KDM4EMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL22229603 0.65 GRM4 (0.41)
SCHEMBL22229626 0.65 KDM4E (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL22229616 0.65 GRM4 (0.32)
SCHEMBL16637498 0.65 NCF1 (0.50) CYP1A2CYP2C9CYP2C19CASP3SENP7

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-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ANGION BIOMEDICA CORP. (US) 2023-01-03 US claimed
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ANGION BIOMEDICA CORP. (US) 2023-01-03 US disclosed
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2020-07-23 US 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-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, RHOT2 KDM4E 2076/4885MAPK1 74/4885NPSR1 4195/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 KDM4E 2076/4885MAPK1 74/4885NPSR1 4195/4885

“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.