SCHEMBL22836727

SCHEMBL22836727

C[C@H](NC(=O)O)c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.49
CPB2 Q96IY4 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPKAPK2 P49137 1/20 0.47
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
HSD17B10 Q99714 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
MTOR P42345 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
HPGDS O60760 1/20 0.42

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
SCHEMBL14065100 1.00 CPN1 (0.49) CPN1CPB2ALDH1A1KDM4EMAPKAPK2
SCHEMBL3859307 1.00 CPN1 (0.49) CPN1CPB2ALDH1A1KDM4EMAPKAPK2
SCHEMBL27948452 0.86 AURKA (0.48) CPN1CPB2ALDH1A1KDM4EMAPKAPK2
SCHEMBL12184906 0.86 ALDH1A1 (0.50) CPN1CPB2ALDH1A1KDM4EMAPKAPK2
SCHEMBL6176429 0.81 LMNA (0.50) ALDH1A1KDM4EMAPKAPK2HSD17B10MEN1
SCHEMBL6176448 0.81 LMNA (0.50) ALDH1A1KDM4EMAPKAPK2HSD17B10MEN1
SCHEMBL2808694 0.81 LMNA (0.50) ALDH1A1KDM4EMAPKAPK2HSD17B10MEN1
SCHEMBL6456059 0.79 HDAC3 (0.62) ALDH1A1KDM4EAURKARPS6KB1HDAC3
SCHEMBL23000166 0.79 MTOR (0.60) HDAC4MEN1KMT2AMTORGPR139
SCHEMBL2766240 0.79 ALDH1A1 (0.63) ALDH1A1KMT2ALMNA

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-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. 2023-03-30 US disclosed
EP-3990443-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, Inc. (US) 2022-05-04 EP disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 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-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF PDGFRB, PDGFRA, FGFR1 CPN1 2816/4885CPB2 3422/4885ALDH1A1 2831/4885

“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.