SCHEMBL19544633

SCHEMBL19544633

CCOC(=O)c1[nH]nc(-c2ccc3c(cnn3-c3ccccc3)c2)c1I

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 2/20 0.43
▸ NR3C1 P04150 5/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMO Q99835 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL19544895 0.86 KDM4E (0.44) ALDH1A1HPGDNR3C1SMN1; SMN2HSD17B10
SCHEMBL19533615 0.86 NR3C1 (0.45) NR3C1SMOPGR
SCHEMBL19544886 0.80 HPGDS (0.54) ALDH1A1HPGDNR3C1SMN1; SMN2SMO
SCHEMBL19544658 0.74 SCN9A (0.54) ALDH1A1HPGDSMN1; SMN2HSD17B10HPGDS
SCHEMBL19533659 0.71 HPGDS (0.48) ALDH1A1HPGDSMN1; SMN2HSD17B10HPGDS
SCHEMBL25171648 0.71 DUSP3 (0.56) ALDH1A1HPGDSMN1; SMN2HSD17B10HPGDS
SCHEMBL19805499 0.71 KDM4E (0.49) ALDH1A1HPGDSMN1; SMN2HSD17B10HPGDS
SCHEMBL19544635 0.71 NPSR1 (0.44) ALDH1A1HPGDSMN1; SMN2HSD17B10HPGDS
SCHEMBL6789733 0.69 AURKA (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10AURKA
SCHEMBL19533678 0.69 MAPT (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10HPGDS

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 ALDH1A1 4122/4885HPGD 4511/4885NR3C1 1866/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN ALDH1A1 4122/4885HPGD 4511/4885NR3C1 1866/4885

“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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