SCHEMBL715530

SCHEMBL715530

Cc1cccc2cc(C(NC(=O)O)C(C)(C)C)c(N3CCNC(=O)C3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.39
SOS1 Q07889 1/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIN1 Q13526 1/20 0.33
USP2 O75604 1/20 0.33
CLK1 P49759 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PTGES O14684 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL718037 0.91 PDE4A (0.35) PIK3CDSOS1PIN1PRKCHPRKCE
SCHEMBL716475 0.80 PIK3CD (0.40) PIK3CDSOS1TSHRALOX15CASP1
SCHEMBL717883 0.79 SOS1 (0.36) PIK3CDSOS1KDM4EALDH1A1PIN1
SCHEMBL8072 0.79 SOS1 (0.36) PIK3CDSOS1PIN1PRKCHPRKCE
SCHEMBL17530807 0.77 PIK3CD (0.58) PIK3CD
SCHEMBL861347 0.76 PIK3CD (0.41) PIK3CDTSHRALOX15CASP1CASP7
SCHEMBL17530809 0.76 PIK3CD (0.40) PIK3CDTSHRALOX15CASP1CASP7
SCHEMBL715531 0.75 PIK3CD (0.44) PIK3CD
SCHEMBL713514 0.75 PIK3CD (0.48) PIK3CDTSHRALOX15CASP1CASP7
SCHEMBL716805 0.74 PIK3CD (0.40) PIK3CDSOS1TSHRALOX15CASP1

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-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 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 (2 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 PIK3CD 12/4885SOS1 1414/4885TSHR 931/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA PIK3CD 6/4885SOS1 1776/4885TSHR 1896/4885

“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.