SCHEMBL270949

SCHEMBL270949

Cc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.49
AURKA O14965 1/20 0.47
AXL P30530 4/20 0.45
STK17A Q9UEE5 1/20 0.44
SYK P43405 1/20 0.44
HDAC3 O15379 1/20 0.43
CDK9 P50750 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL271507 0.90 BRD4 (0.62) BRD4
SCHEMBL266088 0.90 BRD4 (0.56) BRD4AURKAAXLSTK17A
SCHEMBL760315 0.88 CDK2 (0.49) BRD4AXLSTK17A
SCHEMBL271520 0.87 AURKA (0.51) BRD4AURKASYKHDAC6
SCHEMBL271306 0.84 JAK2 (0.56) BRD4AURKASYK
SCHEMBL271021 0.84 SYK (0.68) BRD4AURKAAXLSTK17ASYK
SCHEMBL14364688 0.83 EGFR (0.62) BRD4AURKASYK
SCHEMBL270995 0.82 BRD4 (0.61) BRD4AURKAAXLSTK17ASYK
SCHEMBL264817 0.81 BRD4 (0.70) BRD4AXL
SCHEMBL271149 0.81 EGFR (0.58) BRD4AURKAAXLSTK17ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 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

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 BRD4 142/4885AURKA 75/4885AXL 267/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B BRD4 1036/4885AURKA 3934/4885AXL 2199/4885

“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.