SCHEMBL4683574

SCHEMBL4683574

N#CN=C(N)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
KCNJ11 Q14654 11/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 2/20 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
SCHEMBL4683571 1.00 USP30 (0.43) USP30KCNJ11JAK2JAK1TRPV1
SCHEMBL4684012 0.81 KCNQ3 (0.41) KCNJ11JAK2JAK1AR
SCHEMBL4684016 0.81 KCNQ3 (0.41) KCNJ11JAK2JAK1AR
SCHEMBL16014016 0.80 USP30 (0.43) USP30KCNJ11TRPV1TRPV4AR
SCHEMBL16014017 0.80 USP30 (0.43) USP30KCNJ11TRPV1TRPV4AR
SCHEMBL4683458 0.78 KCNQ3 (0.44)
SCHEMBL4683461 0.78 KCNQ3 (0.44)
SCHEMBL14257382 0.76 USP30 (0.39) USP30KCNJ11TRPV1
SCHEMBL21341996 0.75 ALDH1A1 (0.52) USP30TRPV1CDK5CDK5R1TRPV4
SCHEMBL1204250 0.75 KIF11 (0.51) USP30TRPV1CDK5CDK5R1TRPV4

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-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 USP30 3440/4885KCNJ11 2/4885JAK2 4633/4885

“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.