SCHEMBL18308684

SCHEMBL18308684

Cc1c([C@H](C)N)nc2scc(C)n2c1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
RCE1 Q9Y256 1/20 0.41
PIK3CD O00329 6/20 0.39
PIK3CG P48736 2/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL18308683 1.00 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL18308686 0.88 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL976404 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL12945021 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL12922268 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GLA
Hydrochloric Acid SCHEMBL976093 0.84 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL975148 0.80 PIK3CD (0.56) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL976023 0.80 PIK3CD (0.56) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL973303 0.80 PIK3CG (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL18308687 0.78 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10GLA

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-9732097-B2 Process for the synthesis of a phosphoinositide 3-kinase inhibitor INCYTE CORPORATION (US) 2017-08-15 US disclosed
US-20160362426-A1 PROCESS FOR THE SYNTHESIS OF A PHOSPHOINOSITIDE 3-KINASE INHIBITOR INCYTE CORPORATION 2016-12-15 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-20160362426-A1 PROCESS FOR THE SYNTHESIS OF A PHOSPHOINOSITIDE 3-KINASE INHIBITOR PIK3CA, PI4KA, PIK3CD KDM4E 1000/4885ALDH1A1 4191/4885HPGD 1788/4885

“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.