SCHEMBL5137689

SCHEMBL5137689

CCOC(=O)c1cn(N2C(=O)c3ccccc3C2=O)c(C(=O)OCC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPT P10636 6/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13898244 0.86 TSHR (0.47) TSHRMAPTMAPK1NPC1RAB9A
SCHEMBL4052334 0.72 CRHBP (0.61) TSHRMAPTALDH1A1KDM4EGAA
SCHEMBL4052990 0.72 TSHR (0.43) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL13900332 0.71 ALDH1A1 (0.40) TSHRMAPTMAPK1ALDH1A1MEN1
SCHEMBL4183636 0.71 LMNA (0.47) TSHRMAPTMAPK1NPC1RAB9A
SCHEMBL2556166 0.68 DPP4 (0.40) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL23773427 0.67 TSHR (0.68) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL29617021 0.67 TSHR (0.80) TSHRMAPTMAPK1NPC1RAB9A
SCHEMBL3683272 0.67 TSHR (0.80) TSHRMAPTMAPK1NPC1RAB9A
SCHEMBL873499 0.66 TSHR (0.71) TSHRMAPTNPC1RAB9AALDH1A1

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 TSHR 3274/4885MAPT 3660/4885MAPK1 1844/4885

“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.