SCHEMBL271089

SCHEMBL271089

Cc1cccc(NC(=O)Nc2cccc(Nc3nc(NC(C)(C)C)ncc3C)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.66
ITK Q08881 4/20 0.66
BTK Q06187 3/20 0.55
JAK3 P52333 2/20 0.55
JAK2 O60674 1/20 0.53
HDAC1 Q13547 1/20 0.53
SYK P43405 3/20 0.51
BRD4 O60885 2/20 0.50
AURKA O14965 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
IMPDH2 P12268 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL270226 0.92 EGFR (0.62) EGFRITKBTKJAK3JAK2
SCHEMBL270967 0.90 SYK (0.58) EGFRITKBTKJAK3JAK2
SCHEMBL270239 0.88 EGFR (0.58) EGFRITKBTKJAK3SYK
SCHEMBL270255 0.88 BTK (0.54) EGFRITKBTKJAK3SYK
SCHEMBL12111063 0.85 EGFR (0.66) EGFRITKBTKJAK3JAK2
SCHEMBL21108821 0.82 EGFR (0.78) EGFRITKBTKJAK3JAK2
SCHEMBL270179 0.80 SYK (0.78) EGFRITKBTKJAK3SYK
SCHEMBL270227 0.80 EGFR (0.55) EGFRITKBTKJAK3JAK2
SCHEMBL17916007 0.80 BTK (0.69) EGFRITKBTKJAK3JAK2
SCHEMBL270133 0.80 SYK (0.55) EGFRITKBTKJAK3JAK2

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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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 (2 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 EGFR 181/4885ITK 190/4885BTK 9/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B EGFR 4628/4885ITK 2221/4885BTK 51/4885

“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.