SCHEMBL22072937

SCHEMBL22072937

N#Cc1cc(N)c(N)cc1N1CC[C@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
CHUK O15111 1/20 0.46
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SMARCA2 P51531 2/20 0.36
SMARCA4 P51532 2/20 0.36
PBRM1 Q86U86 2/20 0.36
JAK2 O60674 5/20 0.36
TBK1 Q9UHD2 4/20 0.36
CHEK1 O14757 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL22072939 1.00 AR (0.51) ARCHUKKDM4EALDH1A1SMN1; SMN2
SCHEMBL24196424 0.81 SMARCA2 (0.42) ARCHUKKDM4EALDH1A1SMARCA2
SCHEMBL24196416 0.79 AR (0.40) ARCHUKKDM4EALDH1A1SMN1; SMN2
SCHEMBL426972 0.78 AR (0.53) ARCHUKKDM4EALDH1A1SMN1; SMN2
SCHEMBL15938046 0.77 AR (0.67) ARCHUKKDM4EALDH1A1SMN1; SMN2
SCHEMBL28402999 0.77 AR (0.56) ARCHUKKDM4EALDH1A1SMN1; SMN2
SCHEMBL15938045 0.77 AR (0.67) ARCHUKKDM4EALDH1A1SMN1; SMN2
SCHEMBL27902283 0.77 AR (0.63) ARCHUKKDM4EALDH1A1SMN1; SMN2
SCHEMBL23708107 0.76 AR (0.55) ARCHUKKDM4EALDH1A1SMN1; SMN2
SCHEMBL23708047 0.76 AR (0.55) ARCHUKKDM4EALDH1A1SMN1; SMN2

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-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-12-23 US disclosed
WO-2020114499-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-06-11 WO 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-20210395256-A1 TYROSINE KINASE INHIBITORS, COMPOSITIONS AND METHODS THERE OF ABL1, LCK, ERBB2 AR 1326/4885CHUK 121/4885KDM4E 1183/4885

“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.