SCHEMBL29936019

SCHEMBL29936019

CC(C)(C)OC(=O)Nc1cnc(Cl)c(F)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.40
SYK P43405 1/20 0.38
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
EGLN2 Q96KS0 3/20 0.36
MAPKAPK2 P49137 3/20 0.36
CTSS P25774 1/20 0.36
P2RX3 P56373 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
CYP17A1 P05093 1/20 0.34
AR P10275 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
METAP1 P53582 1/20 0.34
TRPA1 O75762 2/20 0.33

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
SCHEMBL26894607 1.00 ATR (0.40) ATRSYKJAK3BTKEGLN2
SCHEMBL31164405 0.84 ATR (0.38) ATRMAPKAPK2P2RX3AAK1CYP17A1
SCHEMBL23169958 0.84 ATR (0.38) ATRMAPKAPK2P2RX3AAK1CYP17A1
SCHEMBL19960768 0.82 ATR (0.43) ATRSYKMAPKAPK2P2RX3AAK1
SCHEMBL30038835 0.81 ATR (0.42) ATRSYKMAPKAPK2P2RX3AAK1
SCHEMBL23291067 0.81 ATR (0.42) ATRSYKMAPKAPK2P2RX3AAK1
SCHEMBL2019695 0.81 ATR (0.42) ATRSYKMAPKAPK2P2RX3AAK1
SCHEMBL26697721 0.80 ALDH1A1 (0.35)
SCHEMBL21789258 0.80 ATR (0.41) ATRSYKMAPKAPK2P2RX3AAK1
SCHEMBL26697706 0.80 ATR (0.41) ATRSYKMAPKAPK2P2RX3AAK1

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 6 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
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 EP 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
WO-2022221227-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2022-10-20 WO 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 ATR 573/4885SYK 1468/4885JAK3 227/4885
US-20220363696-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 ATR 525/4885SYK 1636/4885JAK3 66/4885
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 ATR 525/4885SYK 1636/4885JAK3 66/4885

“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.