SCHEMBL23112583

SCHEMBL23112583

CC(=O)c1cc(F)c(Cl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.46
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
LMNA P02545 2/20 0.39
KIF11 P52732 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MAOB P27338 2/20 0.36
PDK2 Q15119 1/20 0.35
MAOA P21397 1/20 0.35
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP1 Q9C000 1/20 0.34
MAPK1 P28482 1/20 0.34
S100A4 P26447 1/20 0.34

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
SCHEMBL20703148 0.82 KIF11 (0.49) CA5AKIF11MAOBPDK2MAOA
SCHEMBL823677 0.80 CES2 (0.64) CA5ACES2CES1LMNAKIF11
SCHEMBL16961740 0.80 CES2 (0.33) CES2CES1HDAC1HDAC6
SCHEMBL7922005 0.78 CES2 (0.42) CES2CES1LMNAHDAC1HDAC6
SCHEMBL1001361 0.78 TPMT (0.54) CA5ACES2CES1LMNAHTT
Bromide SCHEMBL31124417 0.78 CES2 (0.61) CA5ACES2CES1LMNAKIF11
SCHEMBL13125486 0.78 HDAC1 (0.59) CA5ACES2CES1LMNAKIF11
SCHEMBL1373573 0.78 CA5A (0.54) CA5ACES2CES1LMNAKIF11
SCHEMBL17041582 0.77 CA5A (0.39) CA5ACES2CES1LMNAKIF11
SCHEMBL23951203 0.76 CA5A (0.46) CA5ACES2CES1LMNAKIF11

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 3 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
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP 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 CA5A 53/4885CES2 3081/4885CES1 1142/4885

“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.