SCHEMBL28554167

SCHEMBL28554167

CCOC(=O)c1nn(CC(=O)c2ccc(C)c(F)c2F)c(C(=O)OCC)c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
ELANE P08246 4/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL28556281 0.93 ALDH1A1 (0.41) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL23112495 0.85 TSHR (0.38) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL28546862 0.82 TSHR (0.51) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL23112416 0.78 SMN1; SMN2 (0.39) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL29977429 0.78 SMN1; SMN2 (0.39) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL29977898 0.77 RAB9A (0.43) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL23112632 0.77 RAB9A (0.43) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL23112283 0.76 ALDH1A1 (0.40) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL28912093 0.74 SLC5A1 (0.35) ALDH1A1TSHRELANENPC1LMNA
SCHEMBL28545438 0.73 KDM4E (0.49) ALDH1A1TSHRELANENPC1LMNA

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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN 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 ALDH1A1 767/4885TSHR 3722/4885ELANE 1847/4885

“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.