SCHEMBL29309657

SCHEMBL29309657

COc1cc(/N=C/N(C)C)c(C#N)nc1C1=CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.35
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
TLR9 Q9NR96 1/20 0.33
ALDH1A1 P00352 1/20 0.32
USP30 Q70CQ3 1/20 0.32
GPR119 Q8TDV5 3/20 0.31
PDK4 Q16654 1/20 0.31
ELANE P08246 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
SCHEMBL30003591 0.92 GRM1 (0.42) NSD2GRM5GRM1TBK1PDK4
SCHEMBL26894701 0.92 GRM1 (0.42) NSD2GRM5GRM1TBK1PDK4
SCHEMBL26697728 0.81 QDPR (0.34) ALDH1A1
SCHEMBL26893882 0.76 GRM1 (0.45) GRM5GRM1GPR119PDK4
SCHEMBL30003484 0.76 GRM1 (0.45) GRM5GRM1GPR119PDK4
SCHEMBL30775561 0.72 L3MBTL1 (0.32)
SCHEMBL25352925 0.70 MAP4K4 (0.48) GPR119
SCHEMBL30126189 0.70 NSD2 (0.35) NSD2TLR9GPR119
SCHEMBL30125949 0.70 NSD2 (0.35) NSD2TLR9GPR119
SCHEMBL30478687 0.69 NAMPT (0.45) GRM5GRM1TBK1GPR119PDK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 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-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 NSD2 1962/4885GRM5 1037/4885GRM1 2232/4885

“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.