SCHEMBL19544631

SCHEMBL19544631

CCOC(=O)c1[nH]nc(-c2ccc(Oc3ccc(C4CCN(C(=O)OC(C)(C)C)[C@@H]4CO)cc3)cc2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.42
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RET P07949 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ SQOR Q9Y6N5 1/20 0.33
▸ TACR1 P25103 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL19544473 0.75 SCN9A (0.51) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL15185102 0.71 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1TACR1HTT
SCHEMBL16943546 0.71 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1TACR1HTT
SCHEMBL19544636 0.70 KDM4E (0.39) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL16943535 0.69 TACR1 (0.42) KMT2AMEN1TACR1
SCHEMBL16943561 0.69 TACR1 (0.42) KMT2AMEN1TACR1
SCHEMBL19544300 0.68 HPGD (0.44) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL19544630 0.68 BTK (0.45) BTKKMT2AMEN1USP30
SCHEMBL15959897 0.68 GPR119 (0.46) KMT2AMEN1TACR1GPR119
SCHEMBL16747062 0.68 TACR1 (0.52) KMT2AMEN1TACR1

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 BTK 1/4885KMT2A 1059/4885MEN1 2910/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN BTK 1/4885KMT2A 1059/4885MEN1 2910/4885

“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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