SCHEMBL22607264

SCHEMBL22607264

CC(C)Nc1cncc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ TNF P01375 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DDO Q99489 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ AOC1 P19801 3/20 0.33
▸ AOC3 Q16853 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL30410742 0.78 ALDH1A1 (0.44) KCNH2SCN5ASCN9ATNFIRAK4
SCHEMBL15651271 0.78 KCNH2 (0.34) KCNH2SCN5ASCN9AALDH1A1LMNA
SCHEMBL18477982 0.77 TDP1 (0.38) TDP1ALDH1A1LMNAHTR7CYP3A4
SCHEMBL13158544 0.76 — —
SCHEMBL7879502 0.75 TDP1 (0.37) TDP1ALDH1A1LMNAAOC1AOC3
SCHEMBL21100840 0.75 TDP1 (0.37) TDP1ALDH1A1LMNAKDM4EAOC1
SCHEMBL12368483 0.75 IDH1 (0.39) TDP1ALDH1A1LMNAHTR7CYP3A4
SCHEMBL1558215 0.75 CSF1R (0.41) TDP1ALDH1A1LMNAKDM4EMEN1
SCHEMBL17828144 0.72 GPR55 (0.38) TDP1ALDH1A1AOC1AOC3HTR7
SCHEMBL4763817 0.72 ALDH1A1 (0.55) TDP1ALDH1A1LMNAKDM4EMEN1

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-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 — — US disclosed
WO-2020216350-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国人民解放军军事科学院军事医学研究院 2020-10-29 — — WO 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-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E KCNH2 1753/4885SCN5A 213/4885SCN9A 1270/4885

“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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