SCHEMBL9107820

SCHEMBL9107820

COc1ccc(-c2nsc(C(N)=O)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.58
MAPT P10636 6/20 0.51
TP53 P04637 3/20 0.50
PARP10 Q53GL7 2/20 0.50
ALOX15 P16050 2/20 0.50
PARP1 P09874 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
MAP4K4 O95819 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
IKBKB O14920 2/20 0.46
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
CHEK2 O96017 2/20 0.44

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
SCHEMBL3650394 0.86 ADORA3 (0.59) ADORA3MAPTTP53ALOX15ALDH1A1
SCHEMBL9108540 0.81 HSD17B1 (0.46) ADORA3MAPTTP53PARP10PARP1
SCHEMBL1425605 0.80 MAPT (0.61) ADORA3MAPTTP53ALOX15ALDH1A1
SCHEMBL16238753 0.80 LMNA (0.48) MAPTTP53SMN1; SMN2IKBKBKMT2A
SCHEMBL3088205 0.79 ADORA3 (0.55) ADORA3MAPTTP53PARP1ALDH1A1
SCHEMBL2578415 0.76 ADORA3 (0.59) ADORA3MAPTTP53ALOX15ALDH1A1
SCHEMBL2658058 0.75 LMNA (0.45) MAPTPARP10PARP1ALDH1A1HPGD
SCHEMBL9867503 0.74 ADORA3 (0.52) ADORA3MAPTTP53ALOX15ALDH1A1
SCHEMBL20320398 0.74 ADORA3 (0.55) ADORA3MAPTTP53ALOX15ALDH1A1
SCHEMBL1180509 0.74 CYP19A1 (0.59) ADORA3MAPTTP53ALOX15ALDH1A1

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
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 ADORA3 198/4885MAPT 3944/4885TP53 4743/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ADORA3 215/4885MAPT 4057/4885TP53 4450/4885

“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.