SCHEMBL20769696

SCHEMBL20769696

COc1ccc2cn(-c3nccc(C#N)n3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
HPGDS O60760 1/20 0.46
RAB9A P51151 5/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 3/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
PTBP1 P26599 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP19A1 P11511 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL16637498 0.80 NCF1 (0.50) RAB9ANPC1CYP11B1CYP11B2CYP1A2
SCHEMBL20769697 0.75 ROCK2 (0.55) NQO1HPGDSKMT2AKDM4EHPGD
SCHEMBL22229790 0.75 PLAU (0.43) HPGDSRAB9ACYP11B1CYP11B2KDM4E
SCHEMBL29640845 0.75 ROCK2 (0.55) NQO1HPGDSKMT2AKDM4EHPGD
SCHEMBL16637714 0.73 ROCK2 (0.56) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL16637613 0.71 ROCK2 (0.49) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL503826 0.70 CCR1 (0.55) NQO1HPGDSRAB9AKMT2ANPC1
SCHEMBL28361389 0.70 NQO1 (0.47) NQO1HPGDSRAB9AKMT2ANPC1
SCHEMBL16637607 0.70 ROCK2 (0.66) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL906879 0.69 NQO1 (1.00) NQO1HPGDSRAB9AKMT2ANPC1

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 7 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 disclosed
US-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2022-09-08 US disclosed
EP-4003340-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2022-06-01 EP disclosed
WO-2021016256-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. (US) 2021-01-28 WO disclosed
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. 2020-07-23 US disclosed
EP-3676262-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2020-07-08 EP disclosed
WO-2019046795-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ANGION BIOMEDICA CORP. (US) 2019-03-07 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 (3 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-20220281841-A1 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, CIT NQO1 2661/4885HPGDS 1096/4885RAB9A 903/4885
US-20200231576-A1 VINYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS ROCK1, ROCK2, RHOT2 NQO1 2056/4885HPGDS 1027/4885RAB9A 1044/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 NQO1 2056/4885HPGDS 1027/4885RAB9A 1044/4885

“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.