SCHEMBL3681877

SCHEMBL3681877

Cc1c(C(=O)O)cn2ncc(C#N)c(Nc3ccc(I)cc3Cl)c12

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.58
SRC P12931 1/20 0.45

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
SCHEMBL3690176 0.87 MAP2K1 (0.58) MAP2K1SRC
SCHEMBL3682085 0.84 MAP2K1 (0.46) MAP2K1SRC
SCHEMBL3698538 0.79 MAP2K1 (0.58) MAP2K1
SCHEMBL3689923 0.79 MAP2K1 (0.71) MAP2K1SRC
SCHEMBL3689322 0.79 MAP2K1 (0.83) MAP2K1
SCHEMBL3698281 0.77 MAP2K1 (0.83) MAP2K1
SCHEMBL3686650 0.76 MAP2K1 (0.86) MAP2K1
SCHEMBL3690543 0.75 MAP2K1 (0.80) MAP2K1
SCHEMBL3686312 0.75 MAP2K1 (0.56) MAP2K1
SCHEMBL3687593 0.75 MAP2K1 (0.72) MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578351-B1 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2010-12-08 EP disclosed
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-1578351-A4 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2006-06-14 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
EP-1578351-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2005-09-28 EP disclosed
US-20050159420-A1 Disruption of signal transduction by inhibition of kinases in target cells SALVATI MARK (US) 2005-07-21 US disclosed
US-6900208-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL MYERS SQUIBB COMPANY (US) 2005-05-31 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
US-20040063712-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2003082208-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-09 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 (3 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 882/4885SRC 1473/4885
US-20040063712-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders PCNA, DPYD, MALT1 MAP2K1 882/4885SRC 1473/4885
US-20050159420-A1 Disruption of signal transduction by inhibition of kinases in target cells MAP3K8, MAP3K5, MAP3K2 MAP2K1 214/4885SRC 150/4885

“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.