SCHEMBL172060

SCHEMBL172060

CC(=O)c1cccc(-c2ccc3nc(N)sc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.47
FYN P06241 6/20 0.45
MAP4K4 O95819 3/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CSNK1G2 P78368 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
ASH1L Q9NR48 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL1279409 0.88 KDM4E (0.45) MAP4K4NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1279773 0.83 RAB9A (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL799211 0.80 PIK3CA (0.64) DHFR
SCHEMBL3717238 0.78 PIK3CD (0.47) KMT2AJAK2LIMK1ATRALDH1A1
SCHEMBL1279505 0.77 LCK (0.60) MEN1KMT2AKDRALDH1A1MAPT
SCHEMBL172105 0.75 LCK (0.50) ABL1RETKDR
SCHEMBL30526647 0.74 MKNK1 (0.43) MKNK2MEN1KMT2ANPC1RAB9A
SCHEMBL30526601 0.74 KMT2A (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31452226 0.74 CYP3A4 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3716975 0.73 PIK3CD (0.57) MKNK2MEN1KMT2ANPC1RAB9A

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 DHFR 4321/4885FYN 1850/4885MAP4K4 265/4885

“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.