SCHEMBL29136040

SCHEMBL29136040

CNC(=O)c1cccc([C@@H](C)n2cnc3cc(Br)ccc3c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
GCK P35557 1/20 0.41
USP5 P45974 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRK2 P25098 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BRD4 O60885 3/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MCL1 Q07820 1/20 0.36
ROCK2 O75116 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
SCHEMBL29136042 1.00 TSHR (0.44) TSHRGCKUSP5ALDH1A1GRK2
SCHEMBL29779029 1.00 TSHR (0.44) TSHRGCKUSP5ALDH1A1GRK2
SCHEMBL29136076 0.89 TSHR (0.49) TSHRUSP5ALDH1A1GRK2MAPT
SCHEMBL30656536 0.89 TSHR (0.49) TSHRUSP5ALDH1A1GRK2MAPT
SCHEMBL29136078 0.89 TSHR (0.49) TSHRUSP5ALDH1A1GRK2MAPT
SCHEMBL29136029 0.87 TSHR (0.41) TSHRGCKUSP5ALDH1A1GRK2
SCHEMBL29778980 0.87 TSHR (0.41) TSHRGCKUSP5ALDH1A1GRK2
SCHEMBL29136033 0.87 TSHR (0.41) TSHRGCKUSP5ALDH1A1GRK2
SCHEMBL29779085 0.87 TSHR (0.41) TSHRGCKUSP5ALDH1A1GRK2
SCHEMBL29135998 0.83 GRK2 (0.42) TSHRGCKUSP5GRK2ROCK2

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 2 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
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN 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 (1 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-20240374582-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND THEIR USES THEREOF ROCK2, ROCK1, MYLK3 TSHR 4258/4885GCK 2994/4885USP5 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.