SCHEMBL799088

SCHEMBL799088

O=C(Nc1nc2c(s1)CN(c1cncc(C(F)(F)F)c1)CC2)Nc1ccccc1C(=O)NC(CO)CO

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.48
P2RY1 P47900 5/20 0.40
STS P08842 1/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.37
PRKDC P78527 1/20 0.37
KDR P35968 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
SCHEMBL799081 0.91 PIK3CG (0.51) PIK3CGP2RY1JAK2
SCHEMBL799355 0.83 P2RY1 (0.43) PIK3CGP2RY1STS
SCHEMBL798962 0.83 P2RY1 (0.43) PIK3CGP2RY1STS
SCHEMBL799158 0.81 PIK3CG (0.44) PIK3CGP2RY1STS
SCHEMBL798724 0.80 PIK3CG (0.49) PIK3CG
SCHEMBL171976 0.80 PIK3CG (0.49) PIK3CG
SCHEMBL798644 0.80 PIK3CG (0.66) PIK3CGJAK2NTRK1PRKDC
SCHEMBL798937 0.78 PIK3CG (0.44) PIK3CGP2RY1JAK2
SCHEMBL799087 0.78 PIK3CG (0.51) PIK3CG
SCHEMBL799272 0.78 PIK3CG (0.51) PIK3CG

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 PIK3CG 16/4885P2RY1 3966/4885STS 1144/4885

“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.