SCHEMBL2629008

SCHEMBL2629008

CONc1nccnc1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR4 P51679 2/20 0.40
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.32
APLNR P35414 1/20 0.32
ALOX12 P18054 1/20 0.31
AURKA O14965 1/20 0.31
TTK P33981 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
GRM5 P41594 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL2629010 0.79 MEN1 (0.45) MEN1KMT2ACCR4GAAALDH1A1
SCHEMBL943566 0.77 MEN1 (0.47) MEN1KMT2ACCR4GAAALDH1A1
Hydrochloric Acid SCHEMBL28897177 0.77 MEN1 (0.44) MEN1KMT2ACCR4GAAALDH1A1
Hydrochloric Acid SCHEMBL19552078 0.76 MEN1 (0.46) MEN1KMT2ACCR4GAAALDH1A1
SCHEMBL607884 0.74 APLNR (0.40) MEN1KMT2ACCR4ALDH1A1MAPT
SCHEMBL27309001 0.73 MEN1 (0.33) MEN1KMT2A
SCHEMBL7599085 0.70 MEN1 (0.45) MEN1KMT2ACCR4GAAALDH1A1
SCHEMBL22971103 0.69 CCNA2 (0.41) MEN1KMT2ACCR4ALDH1A1AURKA
SCHEMBL26789793 0.67 GAA (0.46) MEN1KMT2ACCR4GAAALDH1A1
SCHEMBL22613006 0.67 APLNR (0.36) MEN1KMT2ACCR4ALDH1A1APLNR

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-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 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-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MEN1 4783/4885KMT2A 2166/4885CCR4 1136/4885

“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.