SCHEMBL29968199

SCHEMBL29968199

CCN(C)C1CN(c2ncc(Br)cc2N)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.34
▸ OPRK1 P41145 11/20 0.34
▸ JAK2 O60674 3/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ HRH4 Q9H3N8 2/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ ACACB O00763 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
SCHEMBL21513427 1.00 HRH3 (0.34) HRH3OPRK1JAK2JAK1JAK3
SCHEMBL21513231 0.86 HRH3 (0.42) HRH3OPRK1JAK2JAK1JAK3
SCHEMBL21513418 0.84 OPRK1 (0.35) OPRK1
SCHEMBL29969990 0.84 OPRK1 (0.35) OPRK1
SCHEMBL21513232 0.80 OPRK1 (0.33) OPRK1JAK2JAK1JAK3HRH4
SCHEMBL26129799 0.79 OPRK1 (0.39) OPRK1ACACB
SCHEMBL26590484 0.79 OPRK1 (0.36) OPRK1HRH4HTR3A
SCHEMBL26127971 0.79 ALDH1A1 (0.40) OPRK1JAK2JAK1JAK3
SCHEMBL29969671 0.79 ALDH1A1 (0.40) OPRK1JAK2JAK1JAK3
SCHEMBL21513242 0.78 JAK2 (0.44) HRH3OPRK1JAK2JAK1JAK3

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 3 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
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 HRH3 3780/4885OPRK1 3281/4885JAK2 925/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 HRH3 3780/4885OPRK1 3281/4885JAK2 925/4885

“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