SCHEMBL5136947

SCHEMBL5136947

CCOC(=O)c1c(C)c2c(O)c(C#N)cnn2c1C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 3/20 0.65
HPGD P15428 1/20 0.65
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
MAP2K1 Q02750 7/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM5A P29375 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5137220 0.76 MAP2K1 (0.70) MAP2K1
SCHEMBL5136981 0.75 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL9923414 0.75 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL5137181 0.72 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL5148646 0.72 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL28790818 0.72 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL5149858 0.71 MAP2K1 (0.56) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL279400 0.70 PLK4 (0.45) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL5137152 0.69 MAP4K4 (0.46) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL28790796 0.68 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDPOLB

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 KDM4E 3651/4885ALDH1A1 544/4885HSD17B10 1200/4885

“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.