SCHEMBL20769692

SCHEMBL20769692

Oc1ccnc(-c2ccnc(-n3cc4ccc(F)cc4c3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KMO O15229 1/20 0.31
CD38 P28907 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL20769693 0.75 ADORA2A (0.46) MEN1NPC1RAB9AKMT2AATM
SCHEMBL22229603 0.75 GRM4 (0.41)
Hydrochloric Acid SCHEMBL20769744 0.70 CD38 (0.38) CD38
SCHEMBL20769711 0.60 ROCK2 (0.44) HCRTR1HCRTR2
SCHEMBL1271374 0.60
SCHEMBL1991785 0.59 JAK2 (0.44)
SCHEMBL25253170 0.59 JMJD6 (0.49) KMT2A
SCHEMBL31277599 0.59 JMJD6 (0.49) KMT2A
SCHEMBL27620339 0.59 MAPT (0.42) MEN1NPC1RAB9AKMT2AKMO
SCHEMBL4028475 0.58 KDM4E (0.59) NPC1RAB9AMAPK1

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 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 (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 MEN1 2098/4885NPC1 2508/4885RAB9A 1044/4885
US-11542256-B2 Vinylheterocycles as Rho-associated coiled-coil kinase (ROCK) inhibitors ROCK1, ROCK2, RHOT2 MEN1 2098/4885NPC1 2508/4885RAB9A 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.