SCHEMBL29977154

SCHEMBL29977154

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 5/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 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
SCHEMBL28560572 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL28542240 0.90 GAA (0.42) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL29977114 0.90 HPGD (0.40) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL23112586 0.90 MAPT (0.41) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL23112275 0.90 HPGD (0.40) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL23112584 0.90 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL29977448 0.90 GAA (0.42) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL28546956 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL28912090 0.87 BRAF (0.41) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL28549058 0.87 MAPT (0.38) SMN1; SMN2NPC1RAB9AGAAMAPT

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 SMN1; SMN2 3131/4885NPC1 3609/4885RAB9A 2964/4885

“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.