SCHEMBL3466899

SCHEMBL3466899

CCC(N)c1nc(C(N)=O)c(C)o1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.42
POLB P06746 2/20 0.35
IKBKB O14920 2/20 0.33
C3AR1 Q16581 1/20 0.33
FBP1 P09467 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TARBP2 Q15633 4/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDE4B Q07343 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA3 P42263 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
SCHEMBL3464044 0.82 C3AR1 (0.36) BMP1C3AR1FBP1
SCHEMBL568902 0.81 C3AR1 (0.36) BMP1C3AR1FBP1ALDH1A1
SCHEMBL568551 0.76 CTSK (0.39) BMP1C3AR1FBP1
SCHEMBL8514003 0.76 C3AR1 (0.33) POLBC3AR1
SCHEMBL3466936 0.75 HDAC4 (0.34) BMP1C3AR1
SCHEMBL13689212 0.75 BMP1 (0.41) BMP1POLBIKBKBC3AR1L3MBTL1
SCHEMBL3742227 0.71 POLB (0.44) BMP1POLBIKBKBFBP1L3MBTL1
SCHEMBL21976902 0.68 PPARG (0.30)
SCHEMBL3465662 0.68 ALDH1A1 (0.41) BMP1C3AR1ALDH1A1
SCHEMBL21639134 0.68 ATM (0.43) IKBKBC3AR1TARBP2KDM4EALDH1A1

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

“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.