SCHEMBL568452

SCHEMBL568452

CC[C@H](N)c1ccnc(N(C)C(C)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BUB1 O43683 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16019491 0.80 ALDH1A1 (0.38) POLBSMN1; SMN2BUB1ALDH1A1MAPT
SCHEMBL568811 0.77 POLB (0.45) ROCK1POLBSLC6A4
SCHEMBL3464987 0.76 ALDH1A1 (0.41) ROCK1SMN1; SMN2SLC6A4ALDH1A1MAPT
SCHEMBL12181350 0.74 SMN1; SMN2 (0.34) POLBSMN1; SMN2BUB1MAPT
SCHEMBL20889909 0.74 NOS3 (0.44) POLBSMN1; SMN2BUB1ALDH1A1MAPT
SCHEMBL29187152 0.73 OPRD1 (0.39) POLBSMN1; SMN2BUB1ALDH1A1
SCHEMBL568385 0.73 OPRM1 (0.38) ROCK1SLC6A4ALDH1A1MAPTL3MBTL1
SCHEMBL568018 0.72 LRRK2 (0.38) ROCK1
SCHEMBL27845918 0.72 ALDH1A1 (0.34) POLBSMN1; SMN2BUB1ALDH1A1MAPT
SCHEMBL18133753 0.72 RAB9A (0.48) SMN1; SMN2BUB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8063065-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (4 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ROCK1 2503/4885POLB 2974/4885SMN1; SMN2 1172/4885
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ROCK1 2503/4885POLB 2974/4885SMN1; SMN2 1172/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 ROCK1 2680/4885POLB 1195/4885SMN1; SMN2 411/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ROCK1 2317/4885POLB 2772/4885SMN1; SMN2 1334/4885

“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.