SCHEMBL3701916

SCHEMBL3701916

Cc1ccnc2c(-c3ccc(F)cc3)c(NC(=O)Cc3ccc(F)cc3)nn12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.52
KCNQ3 O43525 4/20 0.51
KCNQ2 O43526 4/20 0.51
PTGS2 P35354 1/20 0.49
WNT3A P56704 3/20 0.47
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CSNK1D P48730 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL3709636 0.91 KCNQ3 (0.53) MAPK14KCNQ3KCNQ2PTGS2WNT3A
SCHEMBL3707258 0.87 MAPK14 (0.48) MAPK14KCNQ3KCNQ2WNT3ANPC1
SCHEMBL3706811 0.86 MAPT (0.43) MAPK14KCNQ3KCNQ2WNT3AALDH1A1
SCHEMBL3706555 0.83 KCNQ3 (0.49) KCNQ3KCNQ2WNT3AGAASMN1; SMN2
SCHEMBL3696615 0.82 ALDH1A1 (0.46) WNT3AGAASMN1; SMN2ALDH1A1
SCHEMBL3695805 0.82 ALDH1A1 (0.46) KCNQ3KCNQ2WNT3AGAASMN1; SMN2
SCHEMBL3707943 0.82 KCNQ3 (0.43) MAPK14KCNQ3KCNQ2WNT3AGAA
SCHEMBL3695035 0.79 KCNQ3 (0.55) MAPK14KCNQ3KCNQ2PTGS2GAA
SCHEMBL3707687 0.76 ROCK1 (0.49) KCNQ2GAAALDH1A1RAB9AKMT2A
SCHEMBL3701012 0.75 KCNQ3 (0.56) KCNQ3KCNQ2PTGS2ALDH1A1NPC1

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-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US claimed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 MAPK14 3073/4885KCNQ3 4/4885KCNQ2 2/4885

“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.