SCHEMBL29977448

SCHEMBL29977448

CCOC(=O)c1cc(C(=O)OCC)n(CC(=O)c2ccc(C)c(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NOTUM Q6P988 1/20 0.41
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
DHODH Q02127 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL28542240 1.00 GAA (0.42) GAAMGAMAMY1ASIMGAM2
SCHEMBL23112463 0.92 NOTUM (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL29977559 0.92 NOTUM (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL29977154 0.90 SMN1; SMN2 (0.46) GAASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL28560572 0.90 SMN1; SMN2 (0.46) GAASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL29977114 0.86 HPGD (0.40) GAASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL23112275 0.86 HPGD (0.40) GAASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL23112584 0.86 SMN1; SMN2 (0.51) GAASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL23112586 0.84 MAPT (0.41) GAASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL28546956 0.84 SMN1; SMN2 (0.40) GAASMN1; SMN2RAB9ANPC1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK GAA 1777/4885MGAM 2303/4885AMY1A 4407/4885

“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.