SCHEMBL19544300

SCHEMBL19544300

CCOC(=O)c1[nH]nc(-c2ccc(C(=O)N3CCCC3)cc2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ ALDH1A1 P00352 6/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SETD7 Q8WTS6 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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 0.84 HPGD (0.46) HPGDKDM4EL3MBTL1ALDH1A1RAB9A
SCHEMBL19544473 0.77 SCN9A (0.51) HPGDKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL19544636 0.76 KDM4E (0.39) HPGDKDM4EL3MBTL1ALDH1A1RAB9A
SCHEMBL19544302 0.73 ALPL (0.63) HPGDKDM4EL3MBTL1ALDH1A1RAB9A
SCHEMBL19544896 0.72 NPSR1 (0.42) HPGDKDM4EALDH1A1RAB9ANPC1
SCHEMBL19545219 0.71 MAPT (0.47) HPGDKDM4EALDH1A1RAB9ANPC1
SCHEMBL5937229 0.71 ALDH1A1 (0.53) HPGDKDM4EL3MBTL1ALDH1A1RAB9A
SCHEMBL19544753 0.70 HPGDS (0.46) HPGDKDM4EL3MBTL1ALDH1A1RAB9A
SCHEMBL1456158 0.70 KMT2A (0.53) HPGDKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL25060355 0.70 BTK (0.48) ALDH1A1MEN1KMT2A

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-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 — — US disclosed
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 (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-10662174-B2 BTK inhibitor BTK, SYK, LYN HPGD 4511/4885KDM4E 898/4885L3MBTL1 2099/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN HPGD 4511/4885KDM4E 898/4885L3MBTL1 2099/4885

“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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