SCHEMBL29968720

SCHEMBL29968720

CCN1C(=O)C2(CC2)c2c1cnc1ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ CCNC P24863 1/20 0.34

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
SCHEMBL26132075 1.00 HTT (0.39) HTTALDH1A1NPSR1GABRA1GABRG2
SCHEMBL21494494 0.84 CASP3 (0.41) HTTALDH1A1NPSR1GABRA1GABRG2
SCHEMBL30866560 0.84 CASP3 (0.41) HTTALDH1A1NPSR1GABRA1GABRG2
SCHEMBL29969399 0.83 MAPK1 (0.37) ALDH1A1NPSR1KMT2AMAPK1
SCHEMBL29968895 0.82 TNKS (0.34) HTTALDH1A1NPSR1GABRA1GABRG2
SCHEMBL21513331 0.82 TNKS (0.34) HTTALDH1A1NPSR1GABRA1GABRG2
SCHEMBL21851160 0.81 HTT (0.45) HTTALDH1A1NPSR1CASP3PRKDC
SCHEMBL21513333 0.81 GABRA1 (0.36) HTTNPSR1GABRA1GABRG2GABRB3
SCHEMBL29969212 0.81 GABRA1 (0.36) HTTNPSR1GABRA1GABRG2GABRB3
SCHEMBL26132084 0.80 MAPT (0.34) HTTALDH1A1NPSR1GABRA1GABRG2

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 HTT 2506/4885ALDH1A1 3354/4885NPSR1 4722/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 HTT 2506/4885ALDH1A1 3354/4885NPSR1 4722/4885

“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.

Send feedback