A-443654

A-443654

SCHEMBL19867533

Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 1.00
PRKACA P17612 6/20 1.00
AKT3 Q9Y243 4/20 1.00
AKT2 P31751 3/20 1.00
DAPK3 O43293 3/20 1.00
RPS6KA5 O75582 3/20 1.00
PRKD3 O94806 3/20 1.00
MAP4K4 O95819 3/20 1.00
PAK4 O96013 3/20 1.00
CHEK2 O96017 3/20 1.00
PRKCG P05129 3/20 1.00
PIM1 P11309 3/20 1.00
PHKG2 P15735 3/20 1.00
CDK2 P24941 3/20 1.00
MAPK1 P28482 3/20 1.00
FLT3 P36888 3/20 1.00
CSNK1A1 P48729 3/20 1.00
CSNK1D P48730 3/20 1.00
MAPKAPK2 P49137 3/20 1.00
GSK3A P49840 3/20 1.00

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
A-443654 SCHEMBL29380923 1.00 AKT1 (1.00) AKT1PRKACAAKT3AKT2DAPK3
A-443654 SCHEMBL570604 1.00 AKT1 (1.00) AKT1PRKACAAKT3AKT2DAPK3
A-443654 SCHEMBL29644958 0.89 AKT1 (0.85) AKT1PRKACAAKT3AKT2DAPK3
A-443654 SCHEMBL2738467 0.89 AKT1 (0.85) AKT1PRKACAAKT3AKT2DAPK3
A-443654 SCHEMBL6855479 0.89 AKT1 (0.85) AKT1PRKACAAKT3AKT2DAPK3
A-443654 SCHEMBL19859268 0.89 AKT1 (0.85) AKT1PRKACAAKT3AKT2DAPK3
A-443654 SCHEMBL29374078 0.89 AKT1 (0.85) AKT1PRKACAAKT3AKT2DAPK3
SCHEMBL2738468 0.87 AKT1 (0.78) AKT1PRKACAAKT3AKT2DAPK3
SCHEMBL6855274 0.86 AKT1 (1.00) AKT1PRKACAAKT3AKT2DAPK3
SCHEMBL6854290 0.84 AKT1 (0.81) AKT1PRKACAAKT3AKT2DAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841075-B1 AGENTS AND METHODS FOR TREATING AND PREVENTING SEBORRHEIC KERATOSIS MASSACHUSETTS GEN HOSPITAL (US) 2020-03-18 EP claimed
US-20220113311-A1 Methods of Detecting and Treating a Tumor Expressing PT346 PDK1 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2022-04-14 US disclosed
US-11208478-B2 Methods of detecting and treating a tumor expressing pT346 PDK1 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2021-12-28 US disclosed
WO-2020132459-A1 QUINOLINYL-PYRAZINE-CARBOXAMIDE COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-06-25 WO disclosed
US-20190177411-A1 Methods of Detecting and Treating a Tumor Expressing PT346 PDK1 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2019-06-13 US disclosed
WO-2018031407-A1 METHODS OF DETECTING AND TREATING A TUMOR EXPRESSING PT346 PDK1 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2018-02-15 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 (3 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-20220113311-A1 Methods of Detecting and Treating a Tumor Expressing PT346 PDK1 PDK1, PDK2, PCK2 AKT1 439/4885PRKACA 270/4885AKT3 257/4885
US-11208478-B2 Methods of detecting and treating a tumor expressing pT346 PDK1 PDK1, PDK2, PCK2 AKT1 439/4885PRKACA 270/4885AKT3 257/4885
US-20190177411-A1 Methods of Detecting and Treating a Tumor Expressing PT346 PDK1 PDK1, PDK2, PCK2 AKT1 439/4885PRKACA 270/4885AKT3 257/4885

“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.