SCHEMBL2903883

SCHEMBL2903883

COc1ccc2c(=O)n(C)c(CCN3CCCCC3)c(-c3ccccc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.66
KCNH2 Q12809 1/20 0.66
DPP4 P27487 4/20 0.51
HTR6 P50406 2/20 0.48
HTR2A P28223 1/20 0.46
MAPK8 P45983 1/20 0.45
ACP1 P24666 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RCE1 Q9Y256 1/20 0.44
ESR1 P03372 1/20 0.43
TACR1 P25103 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
Hydrochloric Acid SCHEMBL2898009 0.99 KCNA5 (0.65) KCNA5KCNH2DPP4HTR6HTR2A
SCHEMBL4685933 0.90 KCNA5 (0.67) KCNA5KCNH2DPP4MAPK8ACP1
SCHEMBL1381462 0.90 KCNA5 (0.64) KCNA5KCNH2DPP4HTR6MAPK8
Hydrochloric Acid SCHEMBL2904489 0.89 KCNA5 (0.62) KCNA5KCNH2DPP4HTR6MAPK8
SCHEMBL1378498 0.85 KCNA5 (0.62) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL2900202 0.83 KCNA5 (0.73) KCNA5KCNH2DPP4MAPK8KDM4E
Hydrochloric Acid SCHEMBL2901589 0.82 DPP4 (0.71) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL1379408 0.81 KCNA5 (0.56) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL4685992 0.81 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL1382996 0.81 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667976-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2010-08-04 EP claimed
US-7741322-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US claimed
US-20060281743-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-14 US claimed
EP-1667976-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2010-08-04 EP disclosed
US-7741322-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
US-7741322-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
US-7741322-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
EP-1667976-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-02-13 EP disclosed
US-20060281743-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-14 US disclosed
EP-1667976-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030726-A1 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 (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-20060281743-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 23/4885KCNH2 4/4885DPP4 1155/4885

“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.