SCHEMBL1383245

SCHEMBL1383245

COc1ccc2c(NCCN)nc(C)c(-c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.53
KCNA5 P22460 2/20 0.49
KCNH2 Q12809 1/20 0.49
DCAF15 Q66K64 1/20 0.46
FERMT2 Q96AC1 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
DPP4 P27487 1/20 0.42
CYP2C9 P11712 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 2/20 0.41

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 SCHEMBL3114221 0.99 SYK (0.52) SYKKCNA5KCNH2DCAF15FERMT2
SCHEMBL1382481 0.88 KCNA5 (0.54) SYKKCNA5KCNH2CYP1A2CYP2C19
SCHEMBL3122251 0.88 CYP1A2 (0.56) SYKKCNA5KCNH2CYP1A2CYP2C19
SCHEMBL3122275 0.87 CYP1A2 (0.50) SYKKCNA5KCNH2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3119371 0.87 CYP1A2 (0.55) SYKKCNA5KCNH2CYP1A2CYP2C19
SCHEMBL3123828 0.80 BRD4 (0.48) KCNA5KCNH2CYP1A2CYP2C19CYP3A4
SCHEMBL3120633 0.79 KMT2A (0.58) CYP1A2CYP2C19CYP3A4CYP2D6ALOX15
Hydrochloric Acid SCHEMBL3115201 0.78 KMT2A (0.57) CYP1A2CYP2C19CYP3A4CYP2D6ALOX15
SCHEMBL1384933 0.77 CA1 (0.47) KCNA5KCNH2CYP1A2CYP2C19CYP3A4
SCHEMBL1382919 0.77 KCNA5 (0.48) SYKKCNA5KCNH2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794446-B2 2011-10-19 JP claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US claimed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP claimed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP disclosed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030130-A2 ISOQUINOLINE 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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 SYK 4153/4885KCNA5 15/4885KCNH2 5/4885

“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.