SCHEMBL29969403

SCHEMBL29969403

FC(F)(F)CNCCOc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.45
ADRA1A P35348 6/20 0.45
ADRA1D P25100 4/20 0.45
ADRA1B P35368 4/20 0.45
GRK3 P35626 1/20 0.38
TSHR P16473 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CYP2D6 P10635 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.35
AURKA O14965 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL29608023 0.78 EPHX2 (0.45) TSHRCYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL28028435 0.78 EPHX2 (0.45) TSHRCYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL17303495 0.77 RXRA (0.37) DRD2DRD4DRD3ALDH1A1
SCHEMBL13900538 0.75 DRD4 (0.62) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL17300748 0.75 HTR1A (0.37) HTR1AEPHX2
SCHEMBL19633625 0.75 NOS3 (0.38) HTR1AALDH1A1
SCHEMBL6965778 0.75 MAOA (0.49) HTR1AADRA1AADRA1DADRA1BCYP2D6
SCHEMBL4190714 0.74 KDM4E (0.50) TSHRCYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL2569101 0.74 HTR1B (0.55) HTR1AADRA1AADRA1DADRA1BALDH1A1
SCHEMBL31143619 0.73 L3MBTL1 (0.46) TSHRCYP2D6NPC1ALDH1A1CYP2C19

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 HTR1A 4385/4885ADRA1A 3237/4885ADRA1D 3462/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 HTR1A 4385/4885ADRA1A 3237/4885ADRA1D 3462/4885

“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.