SCHEMBL21981998

SCHEMBL21981998

CC(C)c1nc2cnc(C(C)(C)C)cc2s1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.36
CASR P41180 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NPC1 O15118 1/20 0.31
SCN4A P35499 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL13587136 0.78 CASR (0.33) CASRNPC1RAB9ASMN1; SMN2
SCHEMBL804959 0.78 SMN1; SMN2 (0.52) TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL14046224 0.78 ACACB (0.38) ACACBCASRNPC1SCN4ARAB9A
SCHEMBL798536 0.78 ACACB (0.38) ACACBCASRNPC1SCN4ARAB9A
SCHEMBL10183352 0.77 RAB9A (0.50) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL2707208 0.74 NPC1 (0.45) ACACBCASRTRPV1NPC1SCN4A
SCHEMBL23775746 0.74 ACACB (0.39) ACACBNPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL12269123 0.72 TRPV1 (0.42) TRPV1NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20047441 0.71 GAA (0.41) ACACBCASRTRPV1NPC1SCN4A
SCHEMBL20047521 0.70 ACACB (0.37) ACACBTRPV1NPC1SCN4ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11419875-B2 Compounds and compositions for treating hematological disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-08-23 US disclosed
US-20220056046-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2022-02-24 US disclosed
US-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-09-23 US disclosed
US-10995100-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-05-04 US disclosed
US-20200190112-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2020-06-18 US disclosed
US-10640517-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-05-05 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 (6 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-20200190112-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 ACACB 2741/4885CASR 3833/4885TRPV1 3015/4885
US-20220056046-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 ACACB 2741/4885CASR 3833/4885TRPV1 3015/4885
US-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, FLT3, IRAK3 ACACB 2501/4885CASR 4724/4885TRPV1 4119/4885
US-10640517-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ACACB 2741/4885CASR 3833/4885TRPV1 3015/4885
US-11419875-B2 Compounds and compositions for treating hematological disorders IRAK4, FLT3, IRAK3 ACACB 2501/4885CASR 4724/4885TRPV1 4119/4885
US-10995100-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ACACB 2741/4885CASR 3833/4885TRPV1 3015/4885

“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.