SCHEMBL29968677

SCHEMBL29968677

CC(C)(C)OC(=O)N1CC=C(c2ncc(Br)cc2N)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.49
CYP11B2 P19099 1/20 0.47
GRM1 Q13255 10/20 0.46
GRM5 P41594 10/20 0.46
PDK4 Q16654 1/20 0.45
ATR Q13535 2/20 0.44
BTK Q06187 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NAMPT P43490 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
SCHEMBL21512721 1.00 TNK2 (0.49) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL15167800 0.88 GRM1 (0.49) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL74150 0.87 TNK2 (0.49) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL1463273 0.87 GRM1 (0.51) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL22820579 0.85 BTK (0.51) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL26132375 0.83 LIMK1 (0.37) TNK2
SCHEMBL18009522 0.82 GRM1 (0.53) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL15168000 0.81 TNK2 (0.50) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL1585582 0.81 TNK2 (0.55) TNK2CYP11B2GRM1GRM5PDK4
SCHEMBL21060469 0.80 GRM1 (0.55) TNK2CYP11B2GRM1GRM5PDK4

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 4 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
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 TNK2 285/4885CYP11B2 2103/4885GRM1 4292/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 TNK2 285/4885CYP11B2 2103/4885GRM1 4292/4885

“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.