SCHEMBL1367775

SCHEMBL1367775

O=c1n(CC(F)(F)F)c2ccccc2n1-c1ncccc1CN(c1cccnc1)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
METAP2 P50579 13/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
GABRA5 P31644 2/20 0.32
CYP11B2 P19099 1/20 0.32
KCNN4 O15554 1/20 0.32
KCNA5 P22460 1/20 0.32
GABRA1 P14867 1/20 0.31

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
SCHEMBL1367495 0.82 PRKDC (0.35) NOS3NOS1NOS2GABRA5KCNN4
SCHEMBL1370175 0.75 GABRP (0.42) NOS3NOS1NOS2GABRA5KCNN4
SCHEMBL1369076 0.73 GRM5 (0.36) NOS3NOS1NOS2CYP11B2KCNN4
SCHEMBL4980340 0.70 METAP2 (0.39) METAP2NOS3NOS1NOS2KCNA5
SCHEMBL1369018 0.70 CYP17A1 (0.46)
SCHEMBL1367397 0.67 NOS3 (0.35) NOS3NOS1NOS2GABRA5GABRA1
SCHEMBL1369842 0.67 GRM5 (0.37) NOS3NOS1NOS2KCNN4KCNA5
SCHEMBL1368624 0.67 CYP17A1 (0.43)
SCHEMBL1368945 0.66 HTR2C (0.35) NOS3NOS1NOS2CYP11B2KCNN4
SCHEMBL1369973 0.65 PIK3CA (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 AR 3929/4885METAP2 3860/4885NOS3 2048/4885

“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.