SCHEMBL172039

SCHEMBL172039

COc1cc(N2CCc3nc(NC(=O)Nc4ccccc4C(=O)OC(C)(C)C)sc3C2)nc(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.46
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NTRK1 P04629 1/20 0.38
PRKDC P78527 1/20 0.38
P2RY1 P47900 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
GRAMD1A Q96CP6 1/20 0.38
PIK3CD O00329 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL798908 0.93 PIK3CG (0.49) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL172064 0.90 PIK3CG (0.49) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799210 0.90 PIK3CG (0.49) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799245 0.90 PIK3CG (0.51) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799243 0.89 PIK3CG (0.46) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799070 0.88 PIK3CG (0.48) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799147 0.88 PIK3CG (0.44) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799067 0.88 PIK3CG (0.49) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL799097 0.88 PIK3CG (0.45) PIK3CGNPC1RAB9ACYP1A2CYP2D6
SCHEMBL798916 0.88 PIK3CG (0.47) PIK3CGNPC1RAB9ACYP1A2CYP2D6

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 PIK3CG 16/4885NPC1 1283/4885RAB9A 1096/4885

“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.