SCHEMBL23749397

SCHEMBL23749397

Cc1nc2c(F)cc(Br)cc2n1C(C)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ACACB O00763 1/20 0.38
HTT P42858 1/20 0.38
CTSA P10619 1/20 0.36
CDK4 P11802 7/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
KMO O15229 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC10 Q969S8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CDK6 Q00534 5/20 0.34
CDK2 P24941 1/20 0.34
CCND1 P24385 4/20 0.34
CCND3 P30281 4/20 0.34
OXER1 Q8TDS5 1/20 0.34
EGFR P00533 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL23749394 1.00 L3MBTL1 (0.39) L3MBTL1ACACBHTTCTSACDK4
SCHEMBL22129320 0.87 ACACB (0.41) ACACBHTTCDK4HDAC1HDAC6
SCHEMBL22129331 0.87 ACACB (0.41) ACACBHTTCDK4HDAC1HDAC6
SCHEMBL30309559 0.80 PLK4 (0.40) CDK4HDAC1HDAC6HDAC3HDAC10
SCHEMBL2490112 0.80 PLK4 (0.40) CDK4HDAC1HDAC6HDAC3HDAC10
SCHEMBL21539413 0.80 CDK4 (0.40) ACACBCDK4CDK6CDK2CCND1
Hydrochloric Acid SCHEMBL31686442 0.78 PLK4 (0.39) CDK4HDAC1HDAC6HDAC3HDAC10
SCHEMBL31493878 0.77 AAK1 (0.39) ACACBCDK4HDAC1HDAC6HDAC3
SCHEMBL31493901 0.77 AAK1 (0.39) ACACBCDK4HDAC1HDAC6HDAC3
SCHEMBL23749547 0.76 CDK4 (0.47) CDK4HDAC1HDAC6HDAC3HDAC10

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-20220017520-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2022-01-20 US disclosed
EP-3865488-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-08-18 EP 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-20220017520-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE CDK4, CDK7, CDKL1 L3MBTL1 2843/4885ACACB 2705/4885HTT 4170/4885

“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.