SCHEMBL19251514

SCHEMBL19251514

CCC(C)(C)c1cnc(C#N)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKCQ Q04759 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 2/20 0.31

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
SCHEMBL22752287 0.87 AR (0.31) ALDH1A1MEN1KMT2ASMN1; SMN2AR
SCHEMBL19251328 0.86 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ASMN1; SMN2AR
SCHEMBL12459073 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2AR
SCHEMBL22778697 0.82 CNR2 (0.43)
SCHEMBL19252751 0.81
SCHEMBL2169173 0.77 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2AR
SCHEMBL22752565 0.76 CNR2 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL12524698 0.73 CYP2A6 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL480214 0.72 PIK3CD (0.33) ALDH1A1
SCHEMBL4918585 0.71 NOS3 (0.46) ALDH1A1

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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B MCL1 2124/4885ALDH1A1 1898/4885MEN1 3398/4885

“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.