SCHEMBL29779015

SCHEMBL29779015

CNC(=O)c1cccc([C@@H](C)n2cnc3cc(Br)ncc3c2=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MET P08581 3/20 0.35
USP5 P45974 1/20 0.35
TP53 P04637 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
GCK P35557 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 3/20 0.32
GRK2 P25098 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL30190315 0.87 TSHR (0.38) TSHRMETUSP5TP53HSD17B13
SCHEMBL29136033 0.80 TSHR (0.41) TSHRUSP5GCKBRD4GRK2
SCHEMBL29779085 0.80 TSHR (0.41) TSHRUSP5GCKBRD4GRK2
SCHEMBL29136029 0.80 TSHR (0.41) TSHRUSP5GCKBRD4GRK2
SCHEMBL29778980 0.80 TSHR (0.41) TSHRUSP5GCKBRD4GRK2
SCHEMBL31232321 0.73 TSHR (0.46) TSHRUSP5KMT2AGRK2ALDH1A1
SCHEMBL29779038 0.73 TSHR (0.46) TSHRUSP5KMT2AGRK2ALDH1A1
SCHEMBL29778982 0.73 GRK2 (0.44) TSHRUSP5TP53SMN1; SMN2GRK2
SCHEMBL29136042 0.67 TSHR (0.44) TSHRUSP5GCKNPC1RAB9A
SCHEMBL29779029 0.67 TSHR (0.44) TSHRUSP5GCKNPC1RAB9A

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-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF Genosco Inc. 2024-11-14 US disclosed
US-12064426-B2 Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof Genosco Inc. (US) 2024-08-20 US disclosed
EP-4274825-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2023-11-15 EP disclosed
US-20230082993-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. 2023-03-16 US disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 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-12064426-B2 Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof ROCK2, ROCK1, MYLK3 TSHR 4083/4885MET 1885/4885USP5 3635/4885
US-20230082993-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF ROCK2, ROCK1, MYLK3 TSHR 4083/4885MET 1885/4885USP5 3635/4885
US-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF ROCK2, ROCK1, MYLK3 TSHR 4258/4885MET 1881/4885USP5 3657/4885

“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.