SCHEMBL2116086

SCHEMBL2116086

C[C@H](Nc1nc(N)nc2ccnn12)c1cc2cccc(Cl)c2nc1N1CCNC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.35
DPP4 P27487 3/20 0.35
SOS1 Q07889 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
IDH1 O75874 1/20 0.31
KCNN3 Q9UGI6 1/20 0.31
PIK3R2 O00459 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
SCHEMBL2116093 1.00 PIK3CD (0.35) PIK3CDDPP4SOS1HRH4IDH1
SCHEMBL2114905 0.90 SOS1 (0.35) PIK3CDDPP4SOS1IDH1KCNN3
SCHEMBL2114904 0.90 SOS1 (0.35) PIK3CDDPP4SOS1IDH1KCNN3
SCHEMBL2112940 0.89 SOS1 (0.33) PIK3CDDPP4SOS1IDH1KCNN3
SCHEMBL2112939 0.89 SOS1 (0.33) PIK3CDDPP4SOS1IDH1KCNN3
SCHEMBL2115350 0.89 SOS1 (0.33) DPP4SOS1
SCHEMBL2115348 0.89 SOS1 (0.33) DPP4SOS1
SCHEMBL2113787 0.88 SOS1 (0.34) PIK3CDDPP4SOS1IDH1PIK3R2
SCHEMBL2113779 0.88 SOS1 (0.34) PIK3CDDPP4SOS1IDH1PIK3R2
SCHEMBL2112923 0.86 PIK3CD (0.36) PIK3CDDPP4SOS1IDH1KCNN3

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 6/4885DPP4 576/4885SOS1 1776/4885

“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.