SCHEMBL23711101

SCHEMBL23711101

Cc1ccc(CNc2ccc(N)c(N)c2F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ KCNQ3 O43525 3/20 0.38
▸ KCNQ2 O43526 3/20 0.38
▸ DHFR P00374 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ P2RX7 Q99572 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAP2K2 P36507 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL21496383 0.81 IDO1 (0.44) KDM4EKCNQ3KCNQ2DHFRMAPT
SCHEMBL20129875 0.79 KCNQ2 (0.50) KDM4EKCNQ3KCNQ2MAPTSMN1; SMN2
SCHEMBL20129870 0.77 KCNQ3 (0.43) KDM4EKCNQ3KCNQ2MAPTSMN1; SMN2
SCHEMBL23134838 0.71 P2RX7 (0.43) KDM4EMAPTADRA2BP2RX7GAA
SCHEMBL17749207 0.69 KCNQ3 (0.56) KDM4EKCNQ3KCNQ2MAPTSMN1; SMN2
SCHEMBL20129861 0.69 BACE1 (0.46) KDM4EKCNQ3KCNQ2MAPTSMN1; SMN2
SCHEMBL21649888 0.69 KDM4E (0.44) KDM4EP2RX7ALDH1A1
SCHEMBL20831858 0.67 SLC6A4 (0.44) P2RX7HSP90B1TRAP1HSP90AA1
SCHEMBL9683520 0.67 TRPM5 (0.43) SMN1; SMN2ADRA2BTDP1TSHRL3MBTL1
SCHEMBL28870158 0.67 MAPT (0.68) KDM4EMAPTSMN1; SMN2LMNATDP1

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 2 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-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-05 — — 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 (2 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 KDM4E 1137/4885KCNQ3 43/4885KCNQ2 35/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 KDM4E 1137/4885KCNQ3 43/4885KCNQ2 35/4885

“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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