SCHEMBL12424701

SCHEMBL12424701

CCC1(C)CCN(C(=O)CC#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IRAK4 Q9NWZ3 5/20 0.39
JAK3 P52333 3/20 0.36
NAMPT P43490 1/20 0.34
JAK1 P23458 7/20 0.34
JAK2 O60674 6/20 0.34
VNN1 O95497 1/20 0.34
DPP4 P27487 1/20 0.33
TYK2 P29597 2/20 0.33
MCL1 Q07820 1/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 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
SCHEMBL14421728 0.86 KDM4E (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL19568021 0.84 KDM4E (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL12424412 0.84 KDM4E (0.45) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL13804168 0.80 ALDH1A1 (0.48) MEN1ALDH1A1KMT2AL3MBTL1NAMPT
SCHEMBL26016189 0.79 MEN1 (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17177171 0.79 KDM4E (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL12384689 0.78 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL12384796 0.78 MEN1 (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL19132712 0.77 RORC (0.50) ALDH1A1KMT2AL3MBTL1JAK1
SCHEMBL14417884 0.77 KDM4E (0.54) KDM4EMEN1ALDH1A1MAPTKMT2A

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-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 WO disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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 (2 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-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 KDM4E 1864/4885MEN1 1298/4885ALDH1A1 1808/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KDM4E 2333/4885MEN1 298/4885ALDH1A1 1168/4885

“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.