SCHEMBL3240722

SCHEMBL3240722

Oc1ccc2ccncc2c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
EP300 Q09472 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
ERN1 O75460 1/20 0.43
IMPDH2 P12268 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPK10 P53779 3/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
HIPK2 Q9H2X6 1/20 0.39
P4HB P07237 1/20 0.39
TNF P01375 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
AXL P30530 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL1705663 0.84 IMPDH2 (0.61) POLBEP300KAT2BKAT8ERN1
SCHEMBL29828616 0.84 IMPDH2 (0.61) POLBEP300KAT2BKAT8ERN1
SCHEMBL1650438 0.79 PTPN22 (0.50) POLBEP300KAT2BKAT8ERN1
Bromide SCHEMBL9548953 0.78 PTPN22 (0.48) POLBEP300KAT2BKAT8ERN1
SCHEMBL3714977 0.76 IMPDH2 (0.72) POLBEP300KAT2BKAT8IMPDH2
SCHEMBL27040501 0.76 IMPDH2 (0.43) POLBIMPDH2KDM4EMAPK10CLK1
SCHEMBL30709993 0.76 IMPDH2 (0.43) POLBIMPDH2KDM4EMAPK10CLK1
SCHEMBL15058583 0.76 IMPDH2 (0.43) POLBIMPDH2KDM4EMAPK10CLK1
SCHEMBL21050856 0.76 IMPDH2 (0.43) POLBIMPDH2KDM4EMAPK10CLK1
SCHEMBL29751463 0.76 IMPDH2 (0.43) POLBIMPDH2KDM4EMAPK10CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101941977-A The antitumoral analogue of stratiform element PHARMA MAR SAU 2011-01-12 CN disclosed
EP-1551844-B1 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR SAU (ES) 2010-07-28 EP disclosed
EP-2138496-A1 Antitumoral analogs of lamellarins Pharma Mar, S.A.U. (ES) 2009-12-30 EP disclosed
US-7396837-B2 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2008-07-08 US disclosed
US-20060173030-A1 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2006-08-03 US disclosed
CN-1688585-A Antitumor analogs of lamellarins PHARMA MAR SAU (ES) 2005-10-26 CN disclosed
EP-1551844-A2 ANTITUMORAL ANALOGS OF LAMELLARINS Pharma Mar, S.A.U. (ES) 2005-07-13 EP disclosed
WO-2004014917-A2 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR, S.A.U. (ES) 2004-02-19 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 (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-20060173030-A1 Antitumoral analogs of lamellarins PLIN3, LPAR3, LPAR2 POLB 664/4885EP300 2666/4885KAT2B 1129/4885

“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.