SCHEMBL24735596

SCHEMBL24735596

O=C[C@H]1CCN(c2ccc(I)cc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NOTUM Q6P988 2/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.34
ACACB O00763 6/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
MAP2K1 Q02750 3/20 0.32
MAP2K2 P36507 1/20 0.32

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
SCHEMBL24735235 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NOTUMGAAHPGD
SCHEMBL24735338 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NOTUMGAAHPGD
SCHEMBL22505554 0.91 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1GAAHPGDPDE3B
SCHEMBL29889809 0.91 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1GAAHPGDPDE3B
SCHEMBL24735181 0.88 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAAHPGDPDE3B
SCHEMBL28214218 0.77 NOTUM (0.38) NOTUMACACBMAPTHTT
SCHEMBL6668947 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1GAAHPGDACACB
Hydrochloric Acid SCHEMBL1836445 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAAHPGDACACB
SCHEMBL24735234 0.74 SYK (0.39) SMN1; SMN2NOTUMGAAHPGDACACB
SCHEMBL24735592 0.74 SYK (0.39) SMN1; SMN2NOTUMGAAHPGDACACB

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
CN-117042769-A Substituted pyrrolopyrimidines and pyrazolopyrimidines as Bruton's Tyrosine Kinase (BTK) degrading agents 冰洲石生物科技公司 2023-11-10 CN disclosed
US-11530222-B2 Substituted pyrrolopyrimidine and pyrazolopyrimidine as Bruton's tyrosine kinase (BTK) degraders ACCUTAR BIOTECHNOLOGY INC. (US) 2022-12-20 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 (1 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-11530222-B2 Substituted pyrrolopyrimidine and pyrazolopyrimidine as Bruton's tyrosine kinase (BTK) degraders BTK, LYN, SYK SMN1; SMN2 3322/4885ALDH1A1 2925/4885NOTUM 2531/4885

“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.