SCHEMBL30003591

SCHEMBL30003591

COc1cc(/N=C/N(C)C)c(C#N)nc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.42
GRM5 P41594 10/20 0.42
TNK2 Q07912 1/20 0.38
NSD2 O96028 1/20 0.37
PDK4 Q16654 1/20 0.37
JAK1 P23458 1/20 0.36
PDE10A Q9Y233 1/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
NAMPT P43490 1/20 0.35
KDM1A O60341 1/20 0.35
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL26894701 1.00 GRM1 (0.42) GRM1GRM5TNK2NSD2PDK4
SCHEMBL29309657 0.92 NSD2 (0.35) GRM1GRM5NSD2PDK4TBK1
SCHEMBL26697728 0.89 QDPR (0.34)
SCHEMBL26893882 0.83 GRM1 (0.45) GRM1GRM5PDK4JAK1PDE10A
SCHEMBL30003484 0.83 GRM1 (0.45) GRM1GRM5PDK4JAK1PDE10A
SCHEMBL30478687 0.77 NAMPT (0.45) GRM1GRM5PDK4EEDRBBP4
SCHEMBL30775561 0.71 L3MBTL1 (0.32)
SCHEMBL25352925 0.70 MAP4K4 (0.48)
SCHEMBL30803678 0.70 GRM1 (0.53) GRM1GRM5TNK2PDK4JAK1
SCHEMBL21274223 0.70 GRM1 (0.53) GRM1GRM5TNK2PDK4JAK1

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 1037/4885TNK2 502/4885
US-20220363696-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 GRM1 1759/4885GRM5 1002/4885TNK2 218/4885
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 GRM1 1759/4885GRM5 1002/4885TNK2 218/4885

“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.