SCHEMBL1186567

SCHEMBL1186567

Cc1ccc2c(n1)NC(=O)CC(C(=O)O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 2/20 0.31
HPGD P15428 1/20 0.31
S100A4 P26447 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ADORA2B P29275 1/20 0.30
TSHR P16473 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1184763 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL11775988 0.69 ALDH1A1 (0.67) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL2258919 0.68 ALDH1A1 (0.49) ALDH1A1POLBCYP2C19LMNAHTT
SCHEMBL6046298 0.65 MEN1 (0.34) ALDH1A1POLBLMNAHPGDMEN1
SCHEMBL2256845 0.65 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1184785 0.65 PDE3B (0.55) ALDH1A1HTTHPGDPDE3BPDE3A
SCHEMBL1185886 0.65 ALDH1A1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL1184433 0.64 CCNB2 (0.39) ALDH1A1CYP2C19HTTHPGDMEN1
SCHEMBL31244414 0.63 CES1 (0.46) ALDH1A1CYP2C19S100A4PDE3BPDE3A
SCHEMBL12680338 0.62 PDE3B (0.49) CYP2C19PDE3BPDE3A

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-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-7935694-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
EP-1799684-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-27 EP disclosed
US-20060100194-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2006-05-11 US disclosed
WO-2006041773-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-04-20 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 (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-20060100194-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885POLB 2639/4885CYP2C19 2758/4885
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885POLB 2639/4885CYP2C19 2758/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885POLB 2639/4885CYP2C19 2758/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885POLB 2639/4885CYP2C19 2758/4885

“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.