SCHEMBL29992149

SCHEMBL29992149

O=C(c1cncnc1)c1cc(CO)c(Cl)s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.35
ADORA1 P30542 1/20 0.34
GSK3B P49841 1/20 0.33
DAO P14920 2/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
VNN1 O95497 1/20 0.30

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
SCHEMBL29991731 0.83 PRKCE (0.33) HCAR2ADORA1DAONPC1RAB9A
SCHEMBL28844341 0.82 GSK3B (0.41) GSK3BDAOMAPT
SCHEMBL29991506 0.81 SAE1 (0.37) GSK3B
SCHEMBL17398355 0.81 SAE1 (0.37) GSK3B
SCHEMBL29991164 0.78 SAE1 (0.48) HCAR2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29991413 0.76 NAE1 (0.40) HCAR2SMN1; SMN2NPC1RAB9A
SCHEMBL29991424 0.74 HCAR2 (0.33) HCAR2ADORA1DAOSMN1; SMN2NPC1
SCHEMBL29991625 0.74 HCAR2 (0.33) HCAR2ADORA1DAOSMN1; SMN2NPC1
SCHEMBL29991466 0.70 GRM5 (0.40) ADORA1NPC1VNN1
SCHEMBL17410720 0.70 NAE1 (0.38) GSK3BSMN1; SMN2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2022-10-20 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-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 HCAR2 2745/4885ADORA1 2911/4885GSK3B 146/4885
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 HCAR2 2745/4885ADORA1 2911/4885GSK3B 146/4885

“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.