SCHEMBL19545219

SCHEMBL19545219

CCOC(=O)c1[nH]nc(-c2ccc(-c3nc4ccccc4o3)cc2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CEPT1 Q9Y6K0 3/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ TP53 P04637 3/20 0.43
▸ TARBP2 Q15633 1/20 0.42
▸ CETP P11597 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AURKA O14965 1/20 0.40

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
SCHEMBL19624858 0.87 MAPT (0.52) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19533678 0.85 MAPT (0.50) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19544473 0.79 SCN9A (0.51) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL19544896 0.77 NPSR1 (0.42) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19533676 0.75 MAPT (0.62) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19544636 0.74 KDM4E (0.39) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19625081 0.73 MAPT (0.45) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19544753 0.72 HPGDS (0.46) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19544300 0.71 HPGD (0.44) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL19544895 0.70 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10

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 MAPT 418/4885SMN1; SMN2 4321/4885KDM4E 898/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN MAPT 418/4885SMN1; SMN2 4321/4885KDM4E 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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