SCHEMBL27445456

SCHEMBL27445456

Cc1ccc(Nc2nccc(-c3cc(O)ccc3N)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.57
CDK4 P11802 7/20 0.57
CDK2 P24941 7/20 0.57
CDK1 P06493 2/20 0.51
CCNB2 O95067 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
SYK P43405 2/20 0.48
KCNH2 Q12809 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
CCNA2 P20248 1/20 0.47
KDR P35968 2/20 0.46
PTK2 Q05397 2/20 0.46
AURKB Q96GD4 1/20 0.46
AURKA O14965 3/20 0.46
RAB9A P51151 1/20 0.45
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNE1 P24864 1/20 0.44

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
SCHEMBL27445357 0.86 PIK3CG (0.57) PLK1CDK4CDK2CDK1CCNB2
SCHEMBL25338224 0.84 SYK (0.56) PLK1CDK4CDK2CDK1CCNB1
SCHEMBL31119036 0.84 SYK (0.56) PLK1CDK4CDK2CDK1CCNB1
SCHEMBL25336514 0.82 CDK1 (0.58) PLK1CDK4CDK2CDK1CCNB2
SCHEMBL31118931 0.82 CDK1 (0.58) PLK1CDK4CDK2CDK1CCNB2
SCHEMBL27444251 0.81 IKBKB (0.52) CDK4CDK2CDK1CCNB2CCNB1
SCHEMBL27446674 0.80 PLK1 (0.53) PLK1CDK4CDK2CDK1CCNB2
SCHEMBL27445373 0.75 PIK3CG (0.58) PLK1CDK1CCNB2CCNB1CCNB3
SCHEMBL27446583 0.74 CDK1 (0.47) PLK1CDK4CDK2CDK1CCNB2
SCHEMBL27444532 0.74 CDK9 (0.49) PLK1CDK4CDK2CDK1CCNB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 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-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 PLK1 4810/4885CDK4 3495/4885CDK2 3767/4885

“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.