SCHEMBL1376897

SCHEMBL1376897

Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BRD4 O60885 1/20 0.50
TACR1 P25103 7/20 0.47
DPP4 P27487 4/20 0.46
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 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
SCHEMBL30290118 0.82 TACR1 (0.51) TACR1KDM4E
SCHEMBL3118253 0.80 KCNA5 (0.69) KMT2ASMN1; SMN2BRD4TACR1DPP4
SCHEMBL8784770 0.79 TACR1 (0.55) KMT2ALMNASMN1; SMN2BRD4TACR1
SCHEMBL9763498 0.79 LMNA (0.46) KMT2ALMNASMN1; SMN2BRD4TACR1
SCHEMBL14303462 0.78 DPP4 (0.48) TACR1DPP4TSHRKCNA5KCNH2
SCHEMBL11429710 0.78 LMNA (0.58) KMT2ALMNASMN1; SMN2BRD4TSHR
SCHEMBL8785517 0.78 TACR1 (0.54) KMT2ALMNASMN1; SMN2BRD4TACR1
SCHEMBL5235622 0.78 DPP4 (0.72) TACR1DPP4KCNA5KCNH2
SCHEMBL18701256 0.77 MAPT (0.45) KMT2ALMNASMN1; SMN2BRD4TSHR
SCHEMBL9764091 0.76 TACR1 (0.53) KMT2ALMNASMN1; SMN2BRD4TACR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US claimed
JP-4718467-B2 2011-07-06 JP claimed
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 US claimed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP claimed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US claimed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030791-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
EP-1667982-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US disclosed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US disclosed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US disclosed
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 US disclosed
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 US disclosed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
EP-1322619-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-01-23 EP disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030791-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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 (2 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-20070027177-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 KMT2A 511/4885LMNA 740/4885SMN1; SMN2 4230/4885
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 KMT2A 436/4885LMNA 676/4885SMN1; SMN2 4407/4885

“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.