SCHEMBL286486

SCHEMBL286486

COc1cc(C2CO2)ncc1C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
HTR2A P28223 2/20 0.37
SRC P12931 6/20 0.37
AR P10275 2/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MAPT P10636 1/20 0.36
EGFR P00533 8/20 0.36
ERBB2 P04626 5/20 0.36
GAK O14976 1/20 0.35
IMPDH2 P12268 1/20 0.35
ABL1 P00519 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL17687701 1.00 HPGDS (0.38) HPGDSHTR2ASRCARP2RX3
SCHEMBL17687702 1.00 HPGDS (0.38) HPGDSHTR2ASRCARP2RX3
SCHEMBL298180 0.80 KCNJ1 (0.33) AR
SCHEMBL21266215 0.72 SRC (0.40) SRCARP2RX3P2RX2MAPT
SCHEMBL286396 0.72 KCNJ1 (0.49) AR
SCHEMBL19565811 0.72 AR (0.44) SRCAREGFRERBB2GAK
SCHEMBL286724 0.71 HTR2A (0.44) HTR2AARIMPDH2
SCHEMBL7875292 0.70 MAP2K1 (0.44) SRCAREGFRERBB2GAK
SCHEMBL20168375 0.70 EGFR (0.44) SRCAREGFRERBB2GAK
SCHEMBL286435 0.70 SRC (0.45) SRCEGFRERBB2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773199-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-04-10 EP disclosed
EP-2773199-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2019-04-10 EP disclosed
EP-3087077-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2018-10-31 EP disclosed
EP-3027625-B1 SPIRO-FUSED DERIVATIVES OF PIPERIDINE USEFUL FOR THE TREATMENT OF INTER ALIA HYPERTENSION AND ACUTE OR CHRONIC HEART FAILURE MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
EP-3027625-B1 SPIRO-FUSED DERIVATIVES OF PIPERIDINE USEFUL FOR THE TREATMENT OF INTER ALIA HYPERTENSION AND ACUTE OR CHRONIC HEART FAILURE MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
WO-2013066714-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
WO-2013066718-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
WO-2013066718-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
WO-2013066714-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 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 (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-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 HPGDS 2884/4885HTR2A 3447/4885SRC 3604/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 HPGDS 3545/4885HTR2A 3252/4885SRC 4105/4885

“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.