SCHEMBL19533646

SCHEMBL19533646

CCc1[nH]nc(-c2ccc(C(=O)N3CCCC3)cc2)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CCNC P24863 2/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC6A7 Q99884 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MET P08581 2/20 0.42
▸ BTK Q06187 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL19544299 0.81 HPGD (0.46) HPGDMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL19533645 0.72 ALDH1A1 (0.50) HPGDMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL300831 0.69 HPGD (0.68) HPGDMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL10721733 0.68 HPGD (0.95) HPGDMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL7901274 0.68 HPGD (0.71) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL21321950 0.68 HPGD (0.71) HPGDALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL1424454 0.67 HPGD (0.76) HPGDMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL7132525 0.66 HPGD (1.00) HPGDMAPK1ALDH1A1L3MBTL1MEN1
SCHEMBL27479149 0.66 HPGD (1.00) HPGDMAPK1ALDH1A1L3MBTL1MEN1
SCHEMBL10264405 0.66 ALDH1A1 (0.62) HPGDALDH1A1KDM4EL3MBTL1MEN1

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 HPGD 4511/4885MAPK1 331/4885ALDH1A1 4122/4885

“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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