SCHEMBL17548818

SCHEMBL17548818

Brc1ccc2sc3ccc(I)cc3c2c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
PTPN1 P18031 4/20 0.35
DUSP3 P51452 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PTPN5 P54829 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32
MCL1 Q07820 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPRC P08575 1/20 0.31
PTPRF P10586 1/20 0.31
PTPRA P18433 1/20 0.31
PTPRB P23467 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN12 Q05209 1/20 0.31

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
SCHEMBL24927104 0.82 CHEK1 (0.37) CHEK1WEE1DUSP3MEN1POLB
SCHEMBL29819472 0.76 GPR3 (0.34) PTPN1MAPT
SCHEMBL17252505 0.76 GPR3 (0.34) PTPN1MAPT
SCHEMBL17548820 0.76 AHR (0.41) CHEK1WEE1POLBMAPTESR1
SCHEMBL22919920 0.76 F9 (0.42) CHEK1WEE1DUSP3MEN1POLB
SCHEMBL17548815 0.74 GPR3 (0.36) PTPN1MEN1POLBMAPTKMT2A
SCHEMBL23722415 0.73 LIMK1 (0.44) PTPN1MEN1MAPTKMT2A
SCHEMBL17548831 0.72 ALDH1A1 (0.47) CHEK1WEE1TDP1PTPRC
SCHEMBL8471275 0.72 PTPN1 (0.47) CHEK1WEE1PTPN1DUSP3MEN1
SCHEMBL18910349 0.70

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-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 CHEK1 3135/4885WEE1 829/4885PTPN1 3949/4885

“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.