SCHEMBL21900907

SCHEMBL21900907

CC(C)(C)OC(=O)NC(c1ccccc1)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
CTSS P25774 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ACHE P22303 1/20 0.42
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
MAPT P10636 1/20 0.40
CTSL P07711 1/20 0.40
ATM Q13315 1/20 0.39
SLC6A9 P48067 1/20 0.39

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
SCHEMBL15607989 0.89 CTSK (0.45) CTSKCTSSKMT2AMEN1ACHE
SCHEMBL21900932 0.87 CTSK (0.46) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL22244378 0.84 CTSK (0.50) CTSKCTSSKMT2AMEN1GABRB1
SCHEMBL4715472 0.82 CTSK (0.43) CTSKCTSSKMT2ACTSL
SCHEMBL4714909 0.82 CTSK (0.43) CTSKCTSSKMT2ACTSL
SCHEMBL2793927 0.81 KMT2A (0.49) KMT2AMEN1
SCHEMBL21900831 0.81 CTSK (0.50) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL28264427 0.80 MAPT (0.48) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL1094296 0.80 KMT2A (0.44) KMT2AMEN1ACHECTSLSLC6A9
SCHEMBL4116055 0.79 SMYD3 (0.53) CTSKCTSSKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078161-B2 Rock-inhibiting compound and uses thereof HITGEN INC. (CN) 2021-08-03 US disclosed
US-11078161-B2 Rock-inhibiting compound and uses thereof HITGEN INC. (CN) 2021-08-03 US disclosed
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN INC. (CN) 2020-06-18 US disclosed
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN INC. (CN) 2020-06-18 US disclosed
EP-3640242-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF Hitgen Ltd. (CN) 2020-04-22 EP 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-11078161-B2 Rock-inhibiting compound and uses thereof ROCK1, ROCK2, RHOA CTSK 1352/4885CTSS 2946/4885KMT2A 2008/4885
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF ROCK1, ROCK2, RHOA CTSK 1352/4885CTSS 2946/4885KMT2A 2008/4885

“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.