SCHEMBL19544721

SCHEMBL19544721

CCOC(=O)c1[nH]nc(-c2ccc(C3OCCO3)cc2)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ CDC25B P30305 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ MAPT P10636 9/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ TP53 P04637 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ XPO1 O14980 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL19624694 0.89 MAPT (0.46) KDM4EHSD17B10CDC25BMAPK10AURKA
SCHEMBL19544636 0.84 KDM4E (0.39) KDM4EHSD17B10CDC25BMAPK10AURKA
SCHEMBL19533626 0.83 KCNH2 (0.36) MAPTRAB9AALDH1A1
SCHEMBL19805499 0.80 KDM4E (0.49) KDM4EHSD17B10CDC25BMAPK10AURKA
SCHEMBL25171648 0.80 DUSP3 (0.56) KDM4EHSD17B10CDC25BMAPK10AURKA
SCHEMBL19544883 0.80 MAPT (0.44) KDM4EHSD17B10CDC25BMAPK10AURKA
SCHEMBL19544607 0.76 MAPK10 (0.43) KDM4EHSD17B10CDC25BMAPK10AURKA
SCHEMBL19544658 0.76 SCN9A (0.54) KDM4EHSD17B10MAPK10AURKARIPK1
SCHEMBL19544616 0.75 ALPL (0.65) HPGDSMAPTNPC1ALPLRAB9A
SCHEMBL19544299 0.75 HPGD (0.46) KDM4EHSD17B10NPC1RAB9ASMN1; 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 3 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
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 KDM4E 898/4885HSD17B10 3175/4885CDC25B 240/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN KDM4E 898/4885HSD17B10 3175/4885CDC25B 240/4885

“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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