SCHEMBL29969592

SCHEMBL29969592

CNC1CN(c2ccccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
GRIN2B Q13224 5/20 0.48
PLD1 Q13393 1/20 0.47
GRM1 Q13255 3/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
USP30 Q70CQ3 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHRM4 P08173 1/20 0.43
KAT2B Q92831 1/20 0.43

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
SCHEMBL13118511 0.87 HRH4 (0.57) HRH4HRH3
SCHEMBL360521 0.83 KDM4E (0.54) KDM4EPOLBPLD1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL27866106 0.81 KDM4E (0.52) KDM4EPOLBPLD1ALDH1A1MAPT
SCHEMBL23875353 0.79 PLD1 (0.52) KDM4EPOLBGRIN2BPLD1GRM1
SCHEMBL20064053 0.78 USP30 (0.46) KDM4EGRIN2BPLD1GRM1ALDH1A1
SCHEMBL20064080 0.77 HRH3 (0.40) KDM4EALDH1A1MAPTHRH4HRH3
SCHEMBL2005995 0.77 USP30 (0.54) KDM4EGRIN2BGRM1ALDH1A1USP30
SCHEMBL29991351 0.76 GRIN2B (0.49) KDM4EGRIN2BPLD1GRM1ALDH1A1
SCHEMBL24454273 0.76 HRH4 (0.51) KDM4EGRIN2BALDH1A1GRIN2DGRIN3B
SCHEMBL25587376 0.76 USP30 (0.53) GRIN2BGRM1ALDH1A1USP30CHRM4

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 KDM4E 1653/4885POLB 27/4885GRIN2B 4152/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 KDM4E 1653/4885POLB 27/4885GRIN2B 4152/4885

“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.