SCHEMBL29968129

SCHEMBL29968129

CN(C)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.43
▸ JAK3 P52333 6/20 0.43
▸ JAK1 P23458 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ OPRK1 P41145 6/20 0.42
▸ MCHR1 Q99705 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.38
▸ WDR5 P61964 1/20 0.37

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
SCHEMBL26130781 1.00 JAK2 (0.43) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL29493167 0.93 ALDH1A1 (0.47) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL26130393 0.93 ALDH1A1 (0.47) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL22941968 0.90 ALDH1A1 (0.43) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL26131983 0.81 MAPT (0.51) ALDH1A1MAPK1HTTOPRK1
SCHEMBL29969961 0.81 MAPT (0.51) ALDH1A1MAPK1HTTOPRK1
SCHEMBL29969671 0.81 ALDH1A1 (0.40) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL26127971 0.81 ALDH1A1 (0.40) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL29968881 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1HTTOPRK1
SCHEMBL26131943 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1HTTOPRK1

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 2 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
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 JAK2 925/4885JAK3 1529/4885JAK1 1427/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 JAK2 925/4885JAK3 1529/4885JAK1 1427/4885

“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.

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