SCHEMBL29969671

SCHEMBL29969671

CCN(C)C1CN(c2ncc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ OPRK1 P41145 9/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ CXCR3 P49682 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CCR6 P51684 1/20 0.31

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
SCHEMBL26127971 1.00 ALDH1A1 (0.40) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL22941968 0.88 ALDH1A1 (0.43) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL29968653 0.85 ALDH1A1 (0.36) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL26130136 0.85 ALDH1A1 (0.36) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL26130281 0.82 ALDH1A1 (0.39) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL29969938 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL26131044 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL29968129 0.81 JAK2 (0.43) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL26130781 0.81 JAK2 (0.43) ALDH1A1MAPK1HTTOPRK1JAK2
SCHEMBL29968199 0.79 HRH3 (0.34) OPRK1JAK2JAK3JAK1

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 ALDH1A1 3354/4885MAPK1 1184/4885HTT 2506/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ALDH1A1 3354/4885MAPK1 1184/4885HTT 2506/4885

“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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