SCHEMBL9893065

SCHEMBL9893065

CC(=O)Nc1nc(C(C)(C)C)c(C#N)s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.45
PIK3CG P48736 5/20 0.40
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9892348 0.86 ALDH1A1 (0.43) ADORA1ALDH1A1MAPTMEN1HTT
SCHEMBL9891895 0.84 CYP1A2 (0.44) ADORA1ALDH1A1MAPTMEN1HTT
SCHEMBL9893125 0.84 SMN1; SMN2 (0.49) ALDH1A1MAPTMEN1HTTRAB9A
SCHEMBL24417711 0.77 PIK3CG (0.43) DYRK1APIK3CGPIK3CAADORA1ALDH1A1
SCHEMBL18113917 0.75 ADORA2A (0.36) ALDH1A1MAPTMEN1HTTRAB9A
SCHEMBL16254917 0.75 CCNE2 (0.41) DYRK1ARAB9A
SCHEMBL3662426 0.74 CNR2 (0.33) ALDH1A1MAPTMEN1HTTRAB9A
SCHEMBL20787911 0.73 SMN1; SMN2 (0.58) ALDH1A1MAPTMEN1HTTRAB9A
SCHEMBL330170 0.73 TMPRSS4 (0.51) MEN1KMT2A
SCHEMBL9108114 0.71 GAA (0.41) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 DYRK1A 2191/4885PIK3CG 1054/4885PIK3CA 1574/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 DYRK1A 1974/4885PIK3CG 824/4885PIK3CA 1165/4885

“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.