SCHEMBL5083030

SCHEMBL5083030

CC(C)(C)OC(=O)C(C)(C)Oc1ccccc1Oc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAOA P21397 1/20 0.39
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
PARP10 Q53GL7 2/20 0.37
LMNA P02545 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CTNNB1 P35222 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL13915601 0.87 LMNA (0.42) NCOA1NCOA3MAOAALDH1A1RAB9A
SCHEMBL13915604 0.84 ALDH1A1 (0.51) NCOA1NCOA3MAOAALDH1A1RAB9A
SCHEMBL12426828 0.82 PPARA (0.45) ALDH1A1RAB9ANPC1MAPK1MAPT
SCHEMBL5076721 0.82 HSPB1 (0.42) ALDH1A1RAB9ANPC1MAPK1MAPT
SCHEMBL13915602 0.81 NCOA1 (0.41) NCOA1NCOA3MAOAALDH1A1RAB9A
SCHEMBL5137765 0.76 NCOA1 (0.40) NCOA1NCOA3ALDH1A1RAB9AMAPT
SCHEMBL13915605 0.76 SSTR4 (0.43) NCOA1NCOA3MAPTHTTKDM4E
SCHEMBL3484675 0.75 RIPK1 (0.41) MAPK1MAPTHPGDLMNACYP3A4
SCHEMBL13915668 0.75 MTNR1B (0.37) NCOA1NCOA3ALDH1A1RAB9ANPC1
SCHEMBL13915663 0.74 PPID (0.48) MAOAALDH1A1RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664051-A4 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-12-31 EP disclosed
EP-1664051-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
WO-2005030144-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-07 WO disclosed
US-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 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 (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-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders PCNA, DPYD, MALT1 NCOA1 1648/4885NCOA3 1595/4885MAOA 2079/4885

“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.