SCHEMBL2026099

SCHEMBL2026099

CN(C)CCCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.53
BTK Q06187 12/20 0.46
MYLK Q15746 1/20 0.44
ERBB2 P04626 1/20 0.42
BRAF P15056 1/20 0.42
TNNI3K Q59H18 1/20 0.42

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
SCHEMBL2021714 0.92 BTK (0.48) EGFRBTK
SCHEMBL2018649 0.90 BTK (0.54) BTKERBB2BRAFTNNI3K
SCHEMBL2022836 0.89 BTK (0.49) EGFRBTK
SCHEMBL2023481 0.89 BTK (0.46) EGFRBTKERBB2BRAFTNNI3K
SCHEMBL2020248 0.87 BTK (0.49) BTKERBB2BRAFTNNI3K
SCHEMBL2023711 0.87 L3MBTL1 (0.52) EGFRBTKERBB2BRAFTNNI3K
SCHEMBL2021361 0.86 BTK (0.46) BTKERBB2BRAFTNNI3K
SCHEMBL2021334 0.85 MEN1 (0.50) EGFRBTK
SCHEMBL2022638 0.85 EGFR (0.53) EGFRBTK
SCHEMBL2019802 0.84 ABCG2 (0.54) EGFRBTKBRAFTNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580803-B2 Substituted pyrrolo-aminopyrimidine compounds ARQULE, INC. (US) 2013-11-12 US disclosed
US-8580803-B2 Substituted pyrrolo-aminopyrimidine compounds ARQULE, INC. (US) 2013-11-12 US disclosed
US-8580803-B2 Substituted pyrrolo-aminopyrimidine compounds ARQULE, INC. (US) 2013-11-12 US disclosed
WO-2011082273-A2 SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 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-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds DPYD, TYMP, DHFR EGFR 1215/4885BTK 1600/4885MYLK 3144/4885

“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.