SCHEMBL1240499

SCHEMBL1240499

O=C(N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
MME P08473 4/20 0.47
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
CA12 O43570 1/20 0.44
ALPL P05186 1/20 0.44
RPA1 P27694 1/20 0.44
CHEK1 O14757 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
PIM1 P11309 1/20 0.43
PDGFRA P16234 1/20 0.43
GSK3B P49841 1/20 0.43
RPS6KA3 P51812 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
TYRO3 Q06418 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
SCHEMBL1240780 0.89 PIN1 (0.44) ADORA3ADORA2AADORA2BADORA1MME
SCHEMBL1242178 0.82 MEN1 (0.52) NAMPT
SCHEMBL1242256 0.79 TDP1 (0.54) HDAC6TP53
SCHEMBL4580891 0.79 POLB (0.48)
SCHEMBL1242102 0.74 RAB9A (0.41) MAPK14MAPK8GAA
SCHEMBL1243103 0.73 ADAMTS5 (0.41) LRRK2GAA
SCHEMBL1243102 0.73 ALDH1A1 (0.49) TP53
SCHEMBL17781095 0.73 ALDH1A1 (0.49) TP53
SCHEMBL9902165 0.72 KCNA5 (0.58)
SCHEMBL9901968 0.72 KCNA5 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ADORA3 3174/4885ADORA2A 3742/4885ADORA2B 4103/4885

“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.