SCHEMBL5148015

SCHEMBL5148015

CCOC(=O)c1cn2ncc(C#N)c(Cl)c2c1CC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.49
KDM4E B2RXH2 4/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
NR1H2 P55055 1/20 0.39
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL3684141 0.87 MAP2K1 (0.60) MAP2K1KDM4EPOLBHTTRECQL
SCHEMBL5148019 0.87 MAP2K1 (0.47) MAP2K1KDM4EPOLBHTTRECQL
SCHEMBL3695515 0.86 MAP2K1 (0.52) MAP2K1KDM4EPOLBHTTRECQL
SCHEMBL3695752 0.85 MAP2K1 (0.61) MAP2K1KDM4EPOLBHTTRECQL
SCHEMBL3687662 0.84 MAP2K1 (0.63) MAP2K1KDM4EPOLBHTTRECQL
SCHEMBL5138174 0.81 MAP2K1 (0.55) MAP2K1KDM4EPOLBHTTRECQL
SCHEMBL5137652 0.77 MAP2K1 (0.82) MAP2K1
SCHEMBL5138615 0.72 MAP2K1 (0.52) MAP2K1
SCHEMBL5149858 0.71 MAP2K1 (0.56) MAP2K1KDM4EPOLBHTTRECQL
SCHEMBL13045466 0.70 MAP2K1 (0.46) MAP2K1KDM4EHTTALDH1A1HSD17B10

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 4 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
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 MAP2K1 882/4885KDM4E 3651/4885POLB 63/4885

“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.