SCHEMBL799160

SCHEMBL799160

COc1cncc(-c2ccc3nc(NC(=O)Nc4ccccc4OCCC(C)C)sc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
PIK3CG P48736 11/20 0.48
ABL1 P00519 1/20 0.46
PIK3CA P42336 9/20 0.45
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.41
SHMT2 P34897 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL172085 0.87 ABL1 (0.49) MEN1RAB9AKMT2ANPC1PIK3CG
SCHEMBL172061 0.83 MAPT (0.45) MEN1RAB9AKMT2ANPC1ABL1
SCHEMBL171905 0.78 PIK3CA (0.52) PIK3CGPIK3CA
SCHEMBL3782341 0.76 PIK3CG (0.56) RAB9ANPC1PIK3CGABL1PIK3CA
SCHEMBL798733 0.76 PIK3CG (0.61) MEN1RAB9AKMT2ANPC1PIK3CG
SCHEMBL13189215 0.75 KMT2A (0.53) MEN1RAB9AKMT2ANPC1PIK3CG
SCHEMBL798739 0.75 KDM4E (0.41) MEN1RAB9AKMT2ANPC1MAPT
SCHEMBL799218 0.74 RAB9A (0.56) MEN1RAB9AKMT2ANPC1ABL1
SCHEMBL798968 0.73 PIK3CG (0.60) PIK3CGPIK3CA
SCHEMBL798966 0.73 MEN1 (0.52) MEN1RAB9AKMT2ANPC1PIK3CG

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 MEN1 2694/4885RAB9A 1096/4885KMT2A 2921/4885

“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.