SCHEMBL13256552

SCHEMBL13256552

CCCn1c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc2c1=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.84
KCNH2 Q12809 8/20 0.84
DPP4 P27487 2/20 0.42
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK8 P45983 1/20 0.41
PGR P06401 2/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL1382069 0.91 KCNA5 (0.82) KCNA5KCNH2DPP4HPGDMAPK1
SCHEMBL3621068 0.91 KCNA5 (1.00) KCNA5KCNH2DPP4HPGDMAPK1
SCHEMBL3623960 0.89 KCNA5 (0.89) KCNA5KCNH2DPP4HPGDMAPK1
SCHEMBL13256468 0.89 KCNA5 (0.70) KCNA5KCNH2DPP4MAPK8GRIA2
SCHEMBL3623444 0.87 KCNA5 (0.76) KCNA5KCNH2DPP4HPGDMAPK1
SCHEMBL3618762 0.87 KCNA5 (0.76) KCNA5KCNH2DPP4HPGDMAPK1
SCHEMBL3623049 0.86 KCNA5 (0.74) KCNA5KCNH2DPP4HPGDMAPK1
SCHEMBL1384172 0.86 KCNA5 (0.78) KCNA5KCNH2DPP4HPGDMAPK1
SCHEMBL3122092 0.86 KCNA5 (0.75) KCNA5KCNH2DPP4HPGDMAPK1
SCHEMBL1381032 0.86 KCNA5 (0.74) KCNA5KCNH2DPP4HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 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 (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-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 KCNA5 14/4885KCNH2 5/4885DPP4 2227/4885

“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.