SCHEMBL2118093

SCHEMBL2118093

Cc1c(F)ccc2cc(C(C)Nc3ccnc4ccnn34)c(N3CCN(c4cccnc4)CC3)nc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
OPRK1 P41145 7/20 0.34
CDK2 P24941 1/20 0.34
PHGDH O43175 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KCNN3 Q9UGI6 1/20 0.31
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL2118091 1.00 PIK3CD (0.35) PIK3CDPIK3R1OPRK1CDK2PHGDH
SCHEMBL2115241 0.88 KDM4E (0.35) PIK3CDPIK3R1OPRK1CDK2DPP4
SCHEMBL2115242 0.88 KDM4E (0.35) PIK3CDPIK3R1OPRK1CDK2DPP4
SCHEMBL2115344 0.88 OPRK1 (0.38) PIK3CDPIK3R1OPRK1DPP4KCNN3
SCHEMBL2115342 0.88 OPRK1 (0.38) PIK3CDPIK3R1OPRK1DPP4KCNN3
SCHEMBL2115940 0.86 ALDH1A1 (0.36) PIK3CDPIK3R1OPRK1KCNN3
SCHEMBL2115939 0.86 ALDH1A1 (0.36) PIK3CDPIK3R1OPRK1KCNN3
SCHEMBL2114696 0.84 P2RX3 (0.38) PIK3CDOPRK1
SCHEMBL2114702 0.84 P2RX3 (0.38) PIK3CDOPRK1
SCHEMBL2114085 0.83 OPRK1 (0.34) PIK3CDPIK3R1OPRK1CDK2

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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA PIK3CD 6/4885PIK3R1 85/4885OPRK1 305/4885

“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.