SCHEMBL19544753

SCHEMBL19544753

CCOC(=O)c1[nH]nc(-c2ccc(Oc3ccccc3)nc2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ GPR55 Q9Y2T6 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SQOR Q9Y6N5 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RECQL P46063 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
SCHEMBL19544473 0.88 SCN9A (0.51) HPGDSALDH1A1KDM4EL3MBTL1HTT
SCHEMBL19624842 0.88 HPGDS (0.51) HPGDSALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL19533659 0.85 HPGDS (0.48) HPGDSALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL15472811 0.79 LTA4H (0.50) ALDH1A1L3MBTL1HPGDCYP1A2CYP2C19
SCHEMBL19624888 0.77 ALDH1A1 (0.40) HPGDSALDH1A1KDM4EL3MBTL1HTT
SCHEMBL19533660 0.75 HPGDS (0.78) HPGDSALDH1A1L3MBTL1MAPTNPC1
SCHEMBL19624943 0.73 ALDH1A1 (0.53) HPGDSALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19544895 0.73 KDM4E (0.44) HPGDSALDH1A1KDM4EHSD17B10HPGD
SCHEMBL25060474 0.72 FNTA (0.40) HPGDSALDH1A1KDM4EL3MBTL1HTT
SCHEMBL19545219 0.72 MAPT (0.47) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 — — EP disclosed
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 — — US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP 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 HPGDS 3334/4885ALDH1A1 4122/4885KDM4E 898/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN HPGDS 3334/4885ALDH1A1 4122/4885KDM4E 898/4885

“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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