SCHEMBL29778982

SCHEMBL29778982

COC(=O)c1cccc([C@@H](C)n2cnc3cc(Br)ncc3c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 2/20 0.44
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.39
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK10 P53779 1/20 0.36
USP5 P45974 1/20 0.36
FGFR1 P11362 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
PARP1 P09874 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL29779038 0.89 TSHR (0.46) GRK2TSHRHSD17B10USP5KDM5B
SCHEMBL31232321 0.89 TSHR (0.46) GRK2TSHRHSD17B10USP5KDM5B
SCHEMBL29136029 0.88 TSHR (0.41) GRK2TSHRUSP5ALDH1A1
SCHEMBL29778980 0.88 TSHR (0.41) GRK2TSHRUSP5ALDH1A1
SCHEMBL29779085 0.88 TSHR (0.41) GRK2TSHRUSP5ALDH1A1
SCHEMBL29136033 0.88 TSHR (0.41) GRK2TSHRUSP5ALDH1A1
SCHEMBL29136076 0.75 TSHR (0.49) GRK2TSHRKDM4EHSD17B10USP5
SCHEMBL30656536 0.75 TSHR (0.49) GRK2TSHRKDM4EHSD17B10USP5
SCHEMBL29136078 0.75 TSHR (0.49) GRK2TSHRKDM4EHSD17B10USP5
SCHEMBL29779029 0.75 TSHR (0.44) GRK2TSHRUSP5ALDH1A1MAPT

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 GRK2 182/4885TSHR 4083/4885MAPK1 134/4885
US-20230082993-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF ROCK2, ROCK1, MYLK3 GRK2 182/4885TSHR 4083/4885MAPK1 134/4885
US-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF ROCK2, ROCK1, MYLK3 GRK2 216/4885TSHR 4258/4885MAPK1 146/4885

“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.