SCHEMBL29977296

SCHEMBL29977296

COc1ccc(/C(C)=N/[S@@+]([O-])C(C)(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.45
GPR183 P32249 5/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KCNH2 Q12809 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MLLT1 Q03111 1/20 0.34
NAMPT P43490 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
OXTR P30559 1/20 0.33
CYP2A6 P11509 1/20 0.33
HPGD P15428 1/20 0.32
SLC18A3 Q16572 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL28911344 1.00 NNMT (0.45) NNMTGPR183MKNK1MKNK2KCNH2
SCHEMBL16943736 0.85 ACACB (0.34) NNMTMAPTNAMPT
SCHEMBL23166506 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL12940495 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL29838294 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL23166505 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL12802515 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL21404907 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL21404904 0.82 MEN1 (0.34) MEN1KMT2A
SCHEMBL30149083 0.82 MEN1 (0.34) MEN1KMT2A

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 NNMT 1314/4885GPR183 1663/4885MKNK1 2715/4885

“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.