SCHEMBL20892175

SCHEMBL20892175

CC(C)c1ccc(C#N)c(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.37
CDK1 P06493 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD11B1 P28845 1/20 0.30
PGR P06401 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
SCHEMBL22543794 0.76 CDK1 (0.37) ARCDK1KDRALDH1A1POLB
SCHEMBL2739656 0.76 HRH4 (0.41) ARCDK1KDRALDH1A1L3MBTL1
SCHEMBL12775196 0.76 KDM5A (0.36) ARALDH1A1L3MBTL1POLBKDM4E
SCHEMBL810127 0.74 L3MBTL1 (0.33) ARALDH1A1L3MBTL1POLBKDM4E
SCHEMBL5857653 0.74 TRPV4 (0.33) ARALDH1A1L3MBTL1POLBMAPT
SCHEMBL810776 0.74 KDM4E (0.41) ALDH1A1KDM4EMAPT
SCHEMBL4760466 0.74 ALDH1A1 (0.45) ARALDH1A1L3MBTL1POLBKDM4E
SCHEMBL531211 0.74 MAPK1 (0.33) ARALDH1A1L3MBTL1POLBMAPT
SCHEMBL30283054 0.74 ALDH1A1 (0.45) ARALDH1A1L3MBTL1POLBKDM4E
SCHEMBL15429601 0.74 NOS3 (0.37) ARCDK1KDRALDH1A1KDM4E

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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 AR 3772/4885CDK1 14/4885KDR 2885/4885

“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.