SCHEMBL4066629

SCHEMBL4066629

COCNC(=O)c1ccc2nnn(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 3/20 0.48
AHR P35869 1/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HCAR3 P49019 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
CHRM4 P08173 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
NOTUM Q6P988 1/20 0.42
PIK3CA P42336 1/20 0.39
ACSS2 Q9NR19 1/20 0.39

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
SCHEMBL6183444 0.84 HCAR3 (0.52) HPGDHCAR3ACSS2
SCHEMBL2884485 0.80 HCAR3 (0.53) MAPTPOLBHPGDAHRRAB9A
SCHEMBL1256199 0.75 HCAR3 (0.76) MAPTPOLBHPGDRAB9AMEN1
SCHEMBL12349868 0.75 HCAR3 (0.57) MAPTPOLBHPGDRAB9AMEN1
SCHEMBL29751355 0.74 HCAR3 (0.55) MAPTPOLBHPGDRAB9AMEN1
SCHEMBL31132754 0.74 PDE2A (0.50) MAPTHPGDRAB9ASMN1; SMN2HCAR3
SCHEMBL6112673 0.74 NAMPT (0.54) MAPTPOLBHPGDRAB9AMEN1
SCHEMBL1644905 0.73 MEN1 (0.61) MAPTPOLBHPGDAHRRAB9A
SCHEMBL29069383 0.73 MAPT (0.70) MAPTPOLBHPGDAHRRAB9A
SCHEMBL30767829 0.73 MAPT (0.70) MAPTPOLBHPGDAHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635702-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2009-12-22 US disclosed
EP-1542990-B1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PROD INC (US) 2009-06-17 EP disclosed
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2007-04-19 US disclosed
US-7153872-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-26 US disclosed
EP-1542990-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040106608-A1 Novel imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-03 US disclosed
WO-2004026859-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040106608-A1 Novel imidazole compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, TGFBR2 MAPT 1415/4885POLB 2328/4885HPGD 973/4885
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 MAPT 1204/4885POLB 2382/4885HPGD 1048/4885

“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.