SCHEMBL9893066

SCHEMBL9893066

CC(=O)Nc1nc2cc(Cl)ccc2s1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 14/20 0.78
FSCN1 Q16658 1/20 0.78
CLK1 P49759 1/20 0.69
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ADORA1 P30542 1/20 0.63
IDO1 P14902 1/20 0.60
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
PDPK1 O15530 1/20 0.57
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.55

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
SCHEMBL11279344 0.88 DYRK1A (1.00) DYRK1AFSCN1NPC1RAB9ASMN1; SMN2
SCHEMBL10935898 0.86 DYRK1A (0.59) DYRK1AFSCN1CLK1NPC1RAB9A
SCHEMBL9891796 0.84 NPC1 (0.59) DYRK1AFSCN1CLK1NPC1RAB9A
SCHEMBL9892912 0.84 RAB9A (0.68) DYRK1AFSCN1NPC1RAB9ASMN1; SMN2
SCHEMBL9891513 0.84 NPC1 (0.57) DYRK1AFSCN1CLK1NPC1RAB9A
SCHEMBL130572 0.83 DYRK1A (1.00) DYRK1AFSCN1CLK1NPC1RAB9A
SCHEMBL31060991 0.83 DYRK1A (1.00) DYRK1AFSCN1CLK1NPC1RAB9A
SCHEMBL16992945 0.83 DYRK1A (1.00) DYRK1AFSCN1CLK1NPC1RAB9A
SCHEMBL4501407 0.82 DYRK1A (0.71) DYRK1AFSCN1CLK1NPC1RAB9A
SCHEMBL856499 0.82 DYRK1A (1.00) DYRK1AFSCN1CLK1NPC1RAB9A

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 DYRK1A 2191/4885FSCN1 4466/4885CLK1 2481/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 DYRK1A 1974/4885FSCN1 4799/4885CLK1 2342/4885

“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.