SCHEMBL19533576

SCHEMBL19533576

CC(=O)c1[nH]nc(-c2ccc(OC3CC3)cc2)c1I

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ GRK6 P43250 1/20 0.37
▸ TTK P33981 3/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ ROCK2 O75116 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CHEK2 O96017 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.34
▸ ROCK1 Q13464 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
SCHEMBL19533582 0.89 HRH3 (0.35) HRH3ALDH1A1MAPTGRK6TTK
SCHEMBL19533664 0.87 FFAR1 (0.39) HRH3ALDH1A1MAPTTTKROCK2
SCHEMBL19544883 0.85 MAPT (0.44) HRH3ALDH1A1MAPTGRK6
SCHEMBL19533553 0.79 ERBB2 (0.41) ALDH1A1MAPTACACB
SCHEMBL19544607 0.77 MAPK10 (0.43) HRH3ALDH1A1MAPTTTKMAPK8
SCHEMBL19544627 0.76 MAPK10 (0.44) HRH3ALDH1A1MAPT
SCHEMBL19624845 0.75 MAPT (0.54) HRH3ALDH1A1MAPT
SCHEMBL25060301 0.73 MAPT (0.44) HRH3ALDH1A1MAPT
SCHEMBL19533574 0.71 ALPL (0.53) ALDH1A1MAPTMAPK8
SCHEMBL30837228 0.70 MAP4K4 (0.56) ALDH1A1MAPTMAP4K4ACACBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — 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-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN HRH3 3404/4885ALDH1A1 4122/4885MAPT 418/4885

“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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