SCHEMBL3700940

SCHEMBL3700940

Cc1ccn2nc(N)c(-c3ccc(OC(F)(F)F)cc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 6/20 0.47
PTGS2 P35354 1/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP2 O95551 1/20 0.39
ADORA2A P29274 1/20 0.39
CYP1A2 P05177 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
DHFR P00374 1/20 0.38
ADORA1 P30542 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL3699229 0.79 KCNQ3 (0.58) SCN5APTGS2KCNQ3KCNQ2KDM4E
SCHEMBL15308500 0.68 ALDH1A1 (0.45) PTGS2KDM4EMAPTMAPK1ADORA2A
SCHEMBL19992781 0.67 MAPT (0.46) SCN5APTGS2KDM4EGAAMAPT
SCHEMBL18615008 0.67 JAK2 (0.70) SCN5AKCNQ3KCNQ2KDM4EGAA
SCHEMBL19413049 0.66 ALDH1A1 (0.41) PTGS2KDM4EMAPTADORA2AADORA1
SCHEMBL28152179 0.66 DHFR (0.49) SCN5AKDM4EGAAMAPTMAPK1
SCHEMBL16630785 0.66 ALDH1A1 (0.42) PTGS2KDM4EMAPTMAPK1ADORA2A
SCHEMBL3709621 0.65 NOTUM (0.47) SCN5AADORA1
SCHEMBL13198824 0.65 SCN8A (0.44) SCN5AKDM4EGAAMAPTMAPK1
SCHEMBL20074707 0.65 SLC34A1 (0.47) SCN5AKDM4EGAAMAPTMAPK1

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
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 SCN5A 57/4885PTGS2 1276/4885KCNQ3 4/4885

“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.