SCHEMBL18300577

SCHEMBL18300577

Cc1csc2cc(C(C)Br)nc(=O)n12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RCE1 Q9Y256 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
GLA P06280 1/20 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
SCHEMBL23753478 0.80 PIK3CD (0.31) PIK3CD
SCHEMBL972568 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL974580 0.63 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL18308685 0.62 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL975136 0.61 GRIN1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2PIK3CD
SCHEMBL12945057 0.61 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL976358 0.60 PIK3CD (0.36) ALDH1A1KDM4ESMN1; SMN2PIK3CD
SCHEMBL12945138 0.60 MAPT (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL975597 0.58 POLB (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL966398 0.57

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 ALDH1A1 4191/4885KDM4E 1000/4885HPGD 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.