SCHEMBL172085

SCHEMBL172085

COc1ccc(-c2ccc3nc(NC(=O)Nc4ccccc4OCCC(C)C)sc3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PABPC1 P11940 1/20 0.47
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
PIK3CG P48736 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
P2RY1 P47900 2/20 0.39
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
PTPRE P23469 1/20 0.37
SHMT2 P34897 1/20 0.37

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
SCHEMBL799160 0.87 MEN1 (0.48) ABL1MEN1KMT2ARAB9ANPC1
SCHEMBL798733 0.87 PIK3CG (0.61) ABL1MEN1KMT2APABPC1RAB9A
SCHEMBL172061 0.84 MAPT (0.45) ABL1MEN1KMT2ARAB9ANPC1
SCHEMBL798966 0.79 MEN1 (0.52) ABL1MEN1KMT2ARAB9ANPC1
SCHEMBL798680 0.76 RIPK1 (0.48) MEN1KMT2APABPC1PIK3CG
SCHEMBL799218 0.74 RAB9A (0.56) ABL1MEN1KMT2ARAB9ANPC1
SCHEMBL799281 0.73 KMT2A (0.49) MEN1KMT2APABPC1RAB9ANPC1
SCHEMBL798882 0.73 MEN1 (0.51) ABL1MEN1KMT2ARAB9ANPC1
SCHEMBL799159 0.73 PIK3CG (0.47) MEN1KMT2APABPC1PIK3CG
SCHEMBL172136 0.68 KMT2A (0.45) MEN1KMT2APABPC1RAB9ANPC1

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 3 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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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 ABL1 1317/4885MEN1 2694/4885KMT2A 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.