SCHEMBL2019583

SCHEMBL2019583

O=C(c1ccccc1)c1c[nH]c2ncnc(Nc3cccc(C(=O)N4CCCCC4)c3)c12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.52
MKNK2 Q9HBH9 1/20 0.47
EGFR P00533 1/20 0.46
CAMK1D Q8IU85 1/20 0.46
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL2019287 0.85 EGFR (0.59) BTKEGFR
SCHEMBL12635826 0.84 BTK (0.56) BTKEGFR
SCHEMBL2019679 0.84 EGFR (0.58) BTKEGFR
SCHEMBL2020684 0.83 BTK (0.53) BTK
SCHEMBL2022001 0.83 BTK (0.60) BTK
SCHEMBL2022435 0.83 TSHR (0.49) BTK
SCHEMBL2024535 0.82 BTK (0.64) BTK
Lithium Ion SCHEMBL2019675 0.82 BTK (0.54) BTKEGFR
SCHEMBL2018889 0.82 BTK (0.54) BTKEGFR
SCHEMBL2019641 0.82 BTK (0.60) BTKEGFR

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 BTK 1600/4885MKNK2 2175/4885EGFR 1215/4885

“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.