SCHEMBL9599100

SCHEMBL9599100

COC(=O)c1sc2c(c1N)CNCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.42
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 8/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
GLA P06280 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
Hydrochloric Acid SCHEMBL9425711 0.99 ADORA1 (0.43) ADORA1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11555201 0.84 ITGB3 (0.38) ADORA1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9426273 0.81 PNMT (0.40) ADORA1KDM4EALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL9426239 0.79 ADORA1 (0.46) ADORA1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9722794 0.78 ALDH1A1 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7790171 0.73 ADORA1 (0.45) ADORA1MAPTHSD17B10KMT2ACHRM3
SCHEMBL7796179 0.73 ADORA1 (0.45) ADORA1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL22392265 0.72 ALDH1A1 (0.46) ADORA1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29676767 0.71 PNMT (0.45) ADORA1KDM4EALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL10859701 0.71 ADORA1 (0.60) ADORA1KDM4EALDH1A1MAPTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5339272-A None JP disclosed
CN-113453762-B Pentacyclic heterocyclic compounds 卫材R&D管理有限公司 2024-06-07 CN disclosed
US-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 US disclosed
US-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 US disclosed
EP-3936190-A1 PENTACYCLIC HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2022-01-12 EP disclosed
EP-3936190-A1 PENTACYCLIC HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2022-01-12 EP disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 US disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 US disclosed
JP-H05339272-A 3-AMINO-4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDINE-2-CARBOXYLIC ACID DERVIATIVE AND ITS PRODUCLTION FUJI PHOTO FILM CO LTD 1993-12-21 JP 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-11358972-B2 Pentacyclic heterocycles CYP2C19, CYP2C18, XDH ADORA1 1600/4885KDM4E 4151/4885ALDH1A1 352/4885
US-20200283452-A1 PENTACYCLIC HETEROCYCLES CYP2C19, CYP2C18, XDH ADORA1 1600/4885KDM4E 4151/4885ALDH1A1 352/4885

“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.