SCHEMBL16604696

SCHEMBL16604696

CNc1nc(C)nc2sc(C)nc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.35
ADORA1 P30542 7/20 0.35
ADORA2A P29274 6/20 0.35
IKBKB O14920 5/20 0.34
CHUK O15111 5/20 0.34
ADORA2B P29275 4/20 0.34
GAA P10253 1/20 0.31
YTHDC1 Q96MU7 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
SCHEMBL5068960 0.75 TRPV1 (0.40) ADORA3ADORA1ADORA2AADORA2BGAA
SCHEMBL5061315 0.74 MAPT (0.44) ADORA3ADORA1ADORA2AADORA2BGAA
SCHEMBL5068900 0.74 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BGAA
SCHEMBL16604726 0.74 ADORA3 (0.34) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5068853 0.72 KDR (0.47) ADORA3ADORA1ADORA2AADORA2BGAA
SCHEMBL5064175 0.72 KDR (0.47) ADORA3ADORA1ADORA2AADORA2BGAA
SCHEMBL5065463 0.71 MAPT (0.45) ADORA3ADORA1ADORA2AADORA2BGAA
SCHEMBL24802393 0.71 ADORA3 (0.33) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL16604682 0.68 ADORA3 (0.33) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL1019277 0.68 PKM (0.38) ADORA3ADORA1ADORA2AADORA2B

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 4217/4885ADORA1 3633/4885ADORA2A 3920/4885
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ADORA3 3456/4885ADORA1 3636/4885ADORA2A 3312/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ADORA3 3456/4885ADORA1 3636/4885ADORA2A 3312/4885

“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.