SCHEMBL29779016

SCHEMBL29779016

COC(=O)c1cccc(Cn2cnc3cc(Br)ccc3c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
MAPK8 P45983 1/20 0.54
MAPK10 P53779 2/20 0.53
MMP13 P45452 1/20 0.50
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
YTHDC1 Q96MU7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL24617509 0.88 YTHDC1 (0.50) IDO1MMP13HDAC6HDAC3HDAC4
SCHEMBL29778919 0.88 YTHDC1 (0.50) IDO1MMP13HDAC6HDAC3HDAC4
SCHEMBL30656549 0.87 IDO1 (0.51) IDO1MMP13SMN1; SMN2USP7SLC2A1
SCHEMBL29136018 0.87 IDO1 (0.51) IDO1MMP13SMN1; SMN2USP7SLC2A1
SCHEMBL29778896 0.83 ROCK2 (0.62) MMP13MAPTPOLBROCK2ROCK1
SCHEMBL24617406 0.83 ROCK2 (0.62) MMP13MAPTPOLBROCK2ROCK1
SCHEMBL2117462 0.81 MMP13 (0.54) IDO1MAPK10MMP13HDAC6HDAC3
SCHEMBL1500346 0.79 GRK2 (0.60) MMP13HDAC6HDAC3HDAC4HDAC1
SCHEMBL29778993 0.79 MAPK8 (0.59) IDO1MAPK8MAPK10YTHDC1MAPT
SCHEMBL6179524 0.79 MAPK8 (0.56) IDO1MAPK8MAPK10HDAC6HDAC3

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 3 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
EP-4274825-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2023-11-15 EP 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 (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 IDO1 1736/4885MAPK8 510/4885MAPK10 435/4885

“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.