SCHEMBL22229649

SCHEMBL22229649

COc1ccc2cn(-c3nccc(-c4nccc(/C=C/c5ccnc(N)c5)n4)n3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
DYRK1A Q13627 3/20 0.34
DHFR P00374 2/20 0.33
KDM1A O60341 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ECE2 P0DPD6 1/20 0.33
AGTR1 P30556 1/20 0.33
KMT2A Q03164 1/20 0.33
NCF1 P14598 1/20 0.33
MAP3K14 Q99558 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL22229567 0.88 KDM4E (0.33) NOS1NOS2CYP1A2CYP2D6CYP2C9
SCHEMBL22229626 0.87 KDM4E (0.39) HDAC6NPC1MEN1KMT2AGRM4
SCHEMBL22229603 0.87 GRM4 (0.41) KDM1AHDAC6GRM4
SCHEMBL22229616 0.87 GRM4 (0.32) HDAC6GRM4
SCHEMBL22229614 0.83 DYRK1A (0.34) DYRK1AGSK3B
SCHEMBL22229650 0.83 ROCK2 (0.43) NOS3NOS1NOS2DYRK1ADHFR
SCHEMBL30189463 0.83 ROCK2 (0.43) NOS3NOS1NOS2DYRK1ADHFR
SCHEMBL22229561 0.83 MAPT (0.40) HDAC1HDAC6MEN1KMT2AROCK1
SCHEMBL22229634 0.81 PIK3CA (0.39) DYRK1ANPC1MEN1KMT2AROCK1
SCHEMBL22229591 0.78 KDM4E (0.42) NPC1MEN1KMT2ACYP1A2CYP2C9

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-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ANGION BIOMEDICA CORP. (US) 2023-01-03 US claimed
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2020-07-23 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 NOS3 708/4885NOS1 586/4885NOS2 498/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 NOS3 708/4885NOS1 586/4885NOS2 498/4885

“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.