SCHEMBL16604682

SCHEMBL16604682

CCc1nc(C)nc2sc(C)nc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.33
ADORA2A P29274 5/20 0.33
ADORA1 P30542 5/20 0.33
ADORA2B P29275 4/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 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
SCHEMBL23870580 0.78 POLB (0.32) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL16604726 0.74 ADORA3 (0.34) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20857368 0.73 KDM4E (0.38) ADORA3ADORA2AADORA1ADORA2BHSD17B10
SCHEMBL24802393 0.71 ADORA3 (0.33) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6760698 0.69
SCHEMBL16604696 0.68 ADORA3 (0.35) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1019277 0.68 PKM (0.38) ADORA3ADORA2AADORA1ADORA2BKDM4E
SCHEMBL16604689 0.65 IKBKB (0.38) ADORA3ADORA2AADORA1ADORA2BHSD17B10
SCHEMBL20087796 0.65 HTT (0.40) HSD17B10KDM4EMAPK1
SCHEMBL12705661 0.63 HTT (0.30)

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
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 US disclosed
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-02-09 US disclosed
US-9518065-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-12-13 US disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 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 (3 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 ADORA3 4217/4885ADORA2A 3920/4885ADORA1 3633/4885
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ADORA3 3456/4885ADORA2A 3312/4885ADORA1 3636/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ADORA3 3456/4885ADORA2A 3312/4885ADORA1 3636/4885

“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.