SCHEMBL24307405

SCHEMBL24307405

CC(C)c1ccnc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.58
MAPK14 Q16539 1/20 0.55
KDR P35968 3/20 0.49
ATR Q13535 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPKAPK2 P49137 3/20 0.46
DYRK1B Q9Y463 1/20 0.44
TTK P33981 3/20 0.44
BRD4 O60885 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL20074742 0.83 TGFBR1 (0.58) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL24307575 0.82 TGFBR1 (0.55) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL25946718 0.82 TGFBR1 (0.55) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL20074744 0.81 TGFBR1 (0.56) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL14924015 0.80 ALDH1A1 (0.51) HDAC4HDAC6BRD4
SCHEMBL14082343 0.76 MAPKAPK2 (0.54) TGFBR1MAPK14ROCK2ROCK1HDAC6
SCHEMBL6222961 0.74 TGFBR1 (1.00) TGFBR1MAPK14KDRATRROCK2
SCHEMBL5956512 0.74 TGFBR1 (0.59) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL14082425 0.74 NPC1 (0.59) MAPK14ROCK2MAPKAPK2DYRK1B
SCHEMBL5907486 0.74 TGFBR1 (0.58) TGFBR1MAPK14KDRATRROCK2

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
EP-4219453-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-08-02 EP disclosed
US-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT Clavius Pharmaceuticals, LLC. 2022-03-03 US 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-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT TGFB1, TGFBR1, TGFB2 TGFBR1 2/4885MAPK14 589/4885KDR 1279/4885

“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.