SCHEMBL18176970

SCHEMBL18176970

CC(C)c1ncn(C2CCCCC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
WDR5 P61964 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
GAA P10253 1/20 0.31
PI4KA P42356 2/20 0.31
PI4K2B Q8TCG2 2/20 0.31
PI4K2A Q9BTU6 2/20 0.31
PI4KB Q9UBF8 2/20 0.31
ADORA2A P29274 1/20 0.31
PSMB8 P28062 3/20 0.31
PSMB9 P28065 3/20 0.31

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
SCHEMBL18176971 0.95 AADAT (0.32)
SCHEMBL21149046 0.91 CYP11B2 (0.30)
SCHEMBL31729017 0.76 SORD (0.32) TP53JAK1
SCHEMBL19441286 0.76 WDR5 (0.30) WDR5
SCHEMBL16848073 0.76 ALDH1A1 (0.35) WDR5HPGDALDH1A1HSD17B10GAA
SCHEMBL20345218 0.72 PI4KA (0.33) WDR5ALDH1A1HSD17B10GAAPI4KA
SCHEMBL23422673 0.71 WDR5 (0.41) TP53WDR5ALDH1A1GAAPI4KA
SCHEMBL19625287 0.71 WDR5 (0.34) WDR5HPGDALDH1A1PI4KAPI4K2B
SCHEMBL13179097 0.71 WDR5 (0.34) WDR5ALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL31728783 0.70 JAK1 (0.39) JAK2JAK1

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-9783531-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-20160311813-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 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 (1 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-20160311813-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK TP53 580/4885HSP90AA1 1550/4885HSP90AB1 1528/4885

“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.