SCHEMBL3113282

SCHEMBL3113282

CC(C)(C)OC(=O)Nc1cnc(CN2CCOCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
CNR2 P34972 10/20 0.43
CNR1 P21554 4/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
ACVR1 Q04771 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38

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
SCHEMBL460094 0.81 SMN1; SMN2 (0.62) LMNASMN1; SMN2
SCHEMBL15235889 0.78 CYP17A1 (0.39)
SCHEMBL1897260 0.77 HIF1A (0.55) CD274CNR2CNR1SMN1; SMN2HIF1A
SCHEMBL1812122 0.77 HIF1A (0.54) CD274CNR2HIF1AEPAS1CACNA1B
SCHEMBL28429632 0.76 SMN1; SMN2 (0.41) ENPP2CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL28784556 0.76 SMN1; SMN2 (0.41) CNR2CNR1SMN1; SMN2
SCHEMBL22571323 0.75 CD274 (0.61) CD274MEN1LMNAMAPTKMT2A
SCHEMBL31242804 0.73 LMNA (0.43) CD274KDM4EMEN1LMNAMAPT
SCHEMBL465864 0.73 SIRT1 (0.54) ENPP2CD274CNR2KMT2ASMN1; SMN2
SCHEMBL28784554 0.73 SMN1; SMN2 (0.38) CNR2CNR1SMN1; SMN2ACVR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
EP-2182986-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2010-05-12 EP disclosed
EP-2170892-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2010-04-07 EP disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 WO 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB ENPP2 841/4885CD274 2264/4885CNR2 4675/4885

“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.