SCHEMBL20129864

SCHEMBL20129864

Nc1ccc(NCc2cccc(C(F)(F)F)c2)c(F)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.48
▸ TDO2 P48775 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ RPS6KB1 P23443 4/20 0.46
▸ AURKA O14965 3/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ KCNQ3 O43525 3/20 0.45
▸ KCNQ2 O43526 3/20 0.45
▸ EGFR P00533 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MITF O75030 1/20 0.42
▸ KCNQ4 P56696 1/20 0.42
▸ KCNQ5 Q9NR82 1/20 0.42

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
SCHEMBL29721496 1.00 APP (0.48) APPTDO2RXFP1RPS6KB1AURKA
SCHEMBL20129838 0.87 KCNQ3 (0.47) APPTDO2RXFP1RPS6KB1AURKA
SCHEMBL17749144 0.83 KCNQ2 (0.60) APPKCNQ3KCNQ2EGFRTAAR1
SCHEMBL17749139 0.83 KCNQ2 (0.57) APPRXFP1RPS6KB1AURKAAURKB
SCHEMBL20129863 0.82 AURKA (0.46) APPTDO2RXFP1RPS6KB1AURKA
SCHEMBL29721814 0.82 AURKA (0.46) APPTDO2RXFP1RPS6KB1AURKA
SCHEMBL20129870 0.81 KCNQ3 (0.43) APPRPS6KB1AURKAKCNQ3KCNQ2
SCHEMBL20133976 0.81 KCNQ3 (0.36) APPTDO2RPS6KB1KCNQ3KCNQ2
SCHEMBL20129861 0.79 BACE1 (0.46) KCNQ3KCNQ2IDO1HDAC3HDAC1
SCHEMBL23711052 0.78 KCNQ3 (0.34) APPRPS6KB1KCNQ3KCNQ2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358930-B2 Selective potassium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-06-14 — — US disclosed
US-11358930-B2 Selective potassium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-06-14 — — US disclosed
US-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-05 — — US disclosed
US-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-05 — — US disclosed
WO-2019203951-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-10-24 — — WO disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 — — US disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 — — 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 (3 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-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS KCNH3, KCNH2, KCNJ11 APP 2621/4885TDO2 4159/4885RXFP1 213/4885
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 APP 3986/4885TDO2 2110/4885RXFP1 167/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 APP 2621/4885TDO2 4159/4885RXFP1 213/4885

“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.

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