SCHEMBL10153752

SCHEMBL10153752

O=c1[nH]c2cc(Br)ccc2c2ccc(Br)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.56
METAP2 P50579 1/20 0.55
CDK9 P50750 2/20 0.50
CDK5 Q00535 2/20 0.50
CAMK2A Q9UQM7 2/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50
FGFR1 P11362 1/20 0.50

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
SCHEMBL20227729 0.89 PARP1 (0.62) PARP1METAP2CDK9CDK5CAMK2A
SCHEMBL12658618 0.88 PARP1 (0.49) PARP1METAP2CDK9CDK5CAMK2A
SCHEMBL20227579 0.87 PARP1 (0.66) PARP1METAP2CDK9CDK5CAMK2A
SCHEMBL30466768 0.87 PARP1 (0.66) PARP1METAP2CDK9CDK5CAMK2A
SCHEMBL7610608 0.81 CASP7 (0.72) PARP1METAP2CDK9CDK5CAMK2A
SCHEMBL29397381 0.80 METAP2 (0.52) METAP2CDK9CDK5CAMK2AJAK2
SCHEMBL28272924 0.80 METAP2 (0.52) METAP2CDK9CDK5CAMK2AJAK2
SCHEMBL181890 0.80 METAP2 (0.52) METAP2CDK9CDK5CAMK2AJAK2
SCHEMBL30013301 0.80 METAP2 (0.60) PARP1METAP2CDK9CDK5CAMK2A
SCHEMBL2730824 0.80 METAP2 (0.60) PARP1METAP2CDK9CDK5CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713319-B2 Compounds having valerolactam structures MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713319-B2 Compounds having valerolactam structures MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
WO-2023110742-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-22 WO disclosed
EP-3548467-B1 COMPOUNDS HAVING VALEROLACTAM STRUCTURES MERCK PATENT GMBH (DE) 2023-06-21 EP disclosed
EP-3548467-B1 COMPOUNDS HAVING VALEROLACTAM STRUCTURES MERCK PATENT GMBH (DE) 2023-06-21 EP disclosed
US-20200031827-A1 COMPOUNDS HAVING VALEROLACTAM STRUCTURES MERCK PATENT GMBH (DE) 2020-01-30 US disclosed
WO-2018099846-A1 COMPOUNDS HAVING VALEROLACTAM STRUCTURES MERCK PATENT GMBH (DE) 2018-06-07 WO disclosed
US-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-8012603-B2 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-06 US disclosed
US-8012603-B2 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-06 US disclosed
EP-2325224-A1 Aryl copolymer compounds and polymer light emitting devices made by using the same Sumitomo Chemical Company, Limited (JP) 2011-05-25 EP disclosed
EP-2325226-A1 Complex aryl copolymer compounds and polymer light emitting devices made by using the same Sumitomo Chemical Company, Limited (JP) 2011-05-25 EP disclosed
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 US disclosed
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 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 (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-11713319-B2 Compounds having valerolactam structures ACE, CYP3A4, CYP2D6 PARP1 340/4885METAP2 1163/4885CDK9 515/4885
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties BRS3, SLC43A1, MRPS23 PARP1 341/4885METAP2 4075/4885CDK9 2986/4885
US-20200031827-A1 COMPOUNDS HAVING VALEROLACTAM STRUCTURES ACE, CYP3A4, CYP2D6 PARP1 340/4885METAP2 1163/4885CDK9 515/4885

“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.