SCHEMBL19544677

SCHEMBL19544677

CCOC(=O)c1[nH]nc(-c2ccc(Oc3ccccn3)cc2)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGDS O60760 2/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL19624943 0.90 ALDH1A1 (0.53) PTGS2ALDH1A1MAPTKDM4EHPGDS
SCHEMBL19544658 0.87 SCN9A (0.54) PTGS2ALDH1A1MAPTKDM4EHPGDS
SCHEMBL19533569 0.86 DHODH (0.41) PTGS2ALDH1A1MAPTSCN9ADHODH
SCHEMBL19533659 0.85 HPGDS (0.48) ALDH1A1MAPTKDM4EHPGDSSCN9A
SCHEMBL25171648 0.77 DUSP3 (0.56) ALDH1A1MAPTKDM4EHPGDSMAPK10
SCHEMBL19805499 0.77 KDM4E (0.49) PTGS2ALDH1A1MAPTKDM4EHPGDS
SCHEMBL19544883 0.77 MAPT (0.44) ALDH1A1MAPTKDM4EHPGDSMAPK10
SCHEMBL19544670 0.77 MAPT (0.66) PTGS2ALDH1A1MAPTHPGDSPOLB
SCHEMBL19544627 0.76 MAPK10 (0.44) ALDH1A1MAPTKDM4EHPGDSSCN9A
SCHEMBL5349967 0.76 PTGS2 (0.60) PTGS2ALDH1A1MAPTPOLBMEN1

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 PTGS2 3549/4885ALDH1A1 4122/4885MAPT 418/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN PTGS2 3549/4885ALDH1A1 4122/4885MAPT 418/4885

“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.

Send feedback