SCHEMBL4425622

SCHEMBL4425622

COCCNC(=O)c1cccc(Nc2ncnc3c2ccn3C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
SCN9A Q15858 3/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
GPR52 Q9Y2T5 1/20 0.45
BRAF P15056 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 2/20 0.44
MAPK1 P28482 1/20 0.44
EP300 Q09472 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL4414170 0.85 ALDH1A1 (0.54) ALDH1A1POLBSCN9AMAPTLMNA
SCHEMBL4412416 0.81 ALDH1A1 (0.54) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL4423001 0.80 ALDH1A1 (0.54) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL4425627 0.80 ALDH1A1 (0.48) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL4415185 0.78 LMNA (0.58) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL4412666 0.76 PIP4K2A (0.48) ALDH1A1POLBMAPTKDM4ESMN1; SMN2
SCHEMBL4412294 0.76 PIP4K2A (0.69) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL4414264 0.76 MAPT (0.57) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL4421383 0.76 RAB9A (0.57) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL4427009 0.76 AURKA (0.58) KDM4EEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US claimed
JP-2007504159-A 2007-03-01 JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP disclosed
US-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-08 US disclosed
US-7338957-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-03-04 US disclosed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP disclosed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 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 (1 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-20080108616-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS LCK, FYN, BMX ALDH1A1 4726/4885POLB 4460/4885SCN9A 2260/4885

“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.