SCHEMBL30003484

SCHEMBL30003484

CN(C)/C=N/c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)nc1C#N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.45
GRM5 P41594 10/20 0.45
PDK4 Q16654 1/20 0.41
NAMPT P43490 1/20 0.39
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
WNT3A P56704 1/20 0.38
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL26893882 1.00 GRM1 (0.45) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL26697705 0.87 ALDH1A1 (0.32) GRM1GRM5
SCHEMBL26894701 0.83 GRM1 (0.42) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL30003591 0.83 GRM1 (0.42) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL30478687 0.81 NAMPT (0.45) GRM1GRM5PDK4NAMPTGPR119
SCHEMBL25352925 0.79 MAP4K4 (0.48) GPR119
SCHEMBL30126950 0.77 MAP4K4 (0.42) GPR119
SCHEMBL29309657 0.76 NSD2 (0.35) GRM1GRM5PDK4GPR119
SCHEMBL29285048 0.75 PDK4 (0.40) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL21886700 0.75 PDK4 (0.40) GRM1GRM5PDK4NAMPTJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2024-10-03 US disclosed
CN-118459485-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-08-09 CN disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
US-20220363696-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2022-11-17 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 (3 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 GRM1 2232/4885GRM5 1037/4885PDK4 2257/4885
US-20220363696-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 GRM1 1759/4885GRM5 1002/4885PDK4 848/4885
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 GRM1 1759/4885GRM5 1002/4885PDK4 848/4885

“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.