SCHEMBL2114905

SCHEMBL2114905

CNc1nc(NC(C)c2cc3cccc(Cl)c3nc2N2CCNC(=O)C2)n2nccc2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.35
DPP4 P27487 1/20 0.33
JAK2 O60674 2/20 0.31
JAK1 P23458 1/20 0.31
IGF1R P08069 1/20 0.31
IDH1 O75874 1/20 0.30
KCNN3 Q9UGI6 1/20 0.30
PIK3CD O00329 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
SCHEMBL2114904 1.00 SOS1 (0.35) SOS1DPP4JAK2JAK1IGF1R
SCHEMBL2116093 0.90 PIK3CD (0.35) SOS1DPP4IDH1KCNN3PIK3CD
SCHEMBL2116086 0.90 PIK3CD (0.35) SOS1DPP4IDH1KCNN3PIK3CD
SCHEMBL2112940 0.89 SOS1 (0.33) SOS1DPP4IDH1KCNN3PIK3CD
SCHEMBL2112939 0.89 SOS1 (0.33) SOS1DPP4IDH1KCNN3PIK3CD
SCHEMBL2115348 0.88 SOS1 (0.33) SOS1DPP4
SCHEMBL2115350 0.88 SOS1 (0.33) SOS1DPP4
SCHEMBL2113787 0.88 SOS1 (0.34) SOS1DPP4IGF1RIDH1PIK3CD
SCHEMBL2113779 0.88 SOS1 (0.34) SOS1DPP4IGF1RIDH1PIK3CD
SCHEMBL2115950 0.85 SOS1 (0.37) SOS1

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 SOS1 1776/4885DPP4 576/4885JAK2 119/4885

“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.