SCHEMBL5896060

SCHEMBL5896060

N#Cc1ccc(Nc2ccccc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.50
IDO1 P14902 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ABCG2 Q9UNQ0 5/20 0.46
ABCB1 P08183 4/20 0.46
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FLT3 P36888 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
TSHR P16473 4/20 0.43

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
SCHEMBL20857942 0.80 IDO1 (0.55) IDO1KDM4EGAAALDH1A1MAPT
SCHEMBL16481161 0.79 KDM4E (0.49) KDM4EGAAALDH1A1ABCG2ABCB1
SCHEMBL24524348 0.79 GAA (0.61) MERTKIDO1KDM4EGAAALDH1A1
SCHEMBL11175497 0.78 GAA (0.49) IDO1KDM4EGAAALDH1A1MAPT
SCHEMBL5901016 0.78 GAA (0.65) KDM4EGAAALDH1A1ABCG2ABCB1
SCHEMBL20829078 0.78 KDM4E (0.47) MERTKKDM4EGAAALDH1A1ABCG2
SCHEMBL16481462 0.78 KDM4E (0.47) MERTKKDM4EGAAALDH1A1ABCG2
SCHEMBL16645321 0.78 ABCG2 (0.49) MERTKKDM4EGAAALDH1A1ABCG2
SCHEMBL2563728 0.78 ALDH1A1 (0.54) KDM4EGAAALDH1A1ABCG2ABCB1
SCHEMBL30902223 0.78 TDP1 (0.61) KDM4EGAAALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370965-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-28 US disclosed
EP-3681890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-08-18 EP disclosed
US-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-17 US disclosed
WO-2019052933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-03-21 WO disclosed
US-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 US disclosed
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040142980-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 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 (4 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-20200291291-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TST, MT-ND5, MT-ND4L MERTK 3975/4885IDO1 1824/4885TAS1R3 3030/4885
US-20040142980-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 MERTK 3190/4885IDO1 1680/4885TAS1R3 2885/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI MERTK 2987/4885IDO1 2023/4885TAS1R3 3352/4885
US-11370965-B2 Materials for organic electroluminescent devices TST, MT-ND5, MT-ND4L MERTK 3975/4885IDO1 1824/4885TAS1R3 3030/4885

“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.