SCHEMBL29969729

SCHEMBL29969729

Cc1c(N(C)C(=O)OC(C)(C)C)cnc2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 3/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
MALT1 Q9UDY8 2/20 0.36
AURKB Q96GD4 2/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SOS1 Q07889 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX3 P56373 1/20 0.34
PAX8 Q06710 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
SCHEMBL21512512 1.00 HTT (0.41) HTTTSHRMAPK1RXFP1GAA
SCHEMBL21512507 0.85 HTT (0.39) HTTTSHRMAPK1RXFP1GAA
SCHEMBL29968478 0.85 HTT (0.39) HTTTSHRMAPK1RXFP1GAA
SCHEMBL21494327 0.82 HTT (0.43) HTTTSHRMAPK1RXFP1GAA
SCHEMBL20006473 0.82 HTT (0.46) HTTTSHRMAPK1RXFP1GAA
SCHEMBL28537583 0.78 MAPK1 (0.35) HTTTSHRMAPK1RXFP1GAA
SCHEMBL21512626 0.76 MAPK1 (0.37) HTTTSHRMAPK1RXFP1GAA
SCHEMBL20006105 0.76 MALT1 (0.35) HTTTSHRRXFP1GAANPSR1
SCHEMBL16096043 0.75 AAK1 (0.40) AAK1IRAK4SOS1ALDH1A1SMN1; SMN2
SCHEMBL20671184 0.75 AAK1 (0.40) AAK1IRAK4SOS1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
CN-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 CN disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 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 (2 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 HTT 2506/4885TSHR 2841/4885MAPK1 1184/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 HTT 2506/4885TSHR 2841/4885MAPK1 1184/4885

“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.