SCHEMBL2012759

SCHEMBL2012759

C1=C(c2cc3cccnc3[nH]2)CNC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 18/20 0.50
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45

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
SCHEMBL2007176 0.85 RIPK1 (0.48) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL2085349 0.76 RIPK1 (0.50) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL12326197 0.76 DAO (0.42) CCNB2CDK1CCNB1CCNB3CCNT1
SCHEMBL18944018 0.71 ULK1 (0.45) CCNT1CDK9
SCHEMBL1778505 0.70 RIPK1 (0.74) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL18448598 0.70 CLK2 (0.48) CCNT1CDK9
SCHEMBL31704117 0.69 CCNB2 (0.65) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL14838870 0.69 CCNB2 (0.65) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL4780727 0.69 RIPK1 (0.59) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL26053438 0.69 RIPK1 (0.71) RIPK1CCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 US disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 EP disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 EP disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 US disclosed
CN-101484454-A Azaindole derivatives with a combination of partial nicotinic acetylcholine receptor agonism and dopamine reuptake inhibition SOLVAY PHARM B V (NL) 2009-07-15 CN disclosed
EP-2041131-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION Solvay Pharmaceuticals B.V. (NL) 2009-04-01 EP disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 US disclosed
WO-2008003736-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-10 WO disclosed
WO-2008003736-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-10 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 (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-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 RIPK1 2374/4885CCNB2 3904/4885CDK1 2315/4885
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 RIPK1 2441/4885CCNB2 3903/4885CDK1 2304/4885

“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.