SCHEMBL3466896

SCHEMBL3466896

Cc1oc([CH]CC(N)=O)nc1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
IKBKB O14920 2/20 0.33
BMP1 P13497 1/20 0.32
FBP1 P09467 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PDE4B Q07343 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
SCHEMBL3464041 0.84 FBP1 (0.31) FBP1
SCHEMBL568550 0.79
SCHEMBL3466930 0.79
SCHEMBL3742227 0.70 POLB (0.44) POLBIKBKBBMP1FBP1KDM4E
SCHEMBL3131699 0.68 NR4A2 (0.43) POLBIKBKBBMP1FBP1KDM4E
SCHEMBL13056607 0.65 POLB (0.39) POLBIKBKBBMP1FBP1KDM4E
SCHEMBL3465659 0.64 ALDH1A1 (0.42) BMP1ALDH1A1
SCHEMBL13689101 0.64 POLB (0.35) POLBIKBKBBMP1FBP1KDM4E
SCHEMBL3466899 0.64 BMP1 (0.42) POLBIKBKBBMP1FBP1KDM4E
SCHEMBL14152034 0.62 POLB (0.33) POLB

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
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-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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 POLB 2974/4885IKBKB 966/4885BMP1 2461/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 POLB 1195/4885IKBKB 274/4885BMP1 1928/4885

“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.