SCHEMBL23869520

SCHEMBL23869520

Cn1ncc(C(C)(C)C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.36
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16176810 0.77
SCHEMBL22083448 0.76
SCHEMBL17084992 0.75 MAP3K12 (0.31)
SCHEMBL23855425 0.72
SCHEMBL15652181 0.72
SCHEMBL17084994 0.72 LRRK2 (0.34) KDM4EALDH1A1GAAHPGD
SCHEMBL12253238 0.71 CYP11B2 (0.32) CYP11B2
SCHEMBL10183419 0.71 MAPK1 (0.37) CYP11B2MAPTPOLBSMN1; SMN2KDM4E
SCHEMBL12731976 0.70
SCHEMBL21719514 0.70

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-20210300906-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-09-30 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-20210300906-A1 PYRAZOLE DERIVATIVES AS H4 ANTAGONIST COMPOUNDS HRH4, HRH3, HDAC3 CYP11B2 296/4885MAPT 2565/4885POLB 4378/4885

“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.