SCHEMBL271306

SCHEMBL271306

COc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.56
JAK1 P23458 6/20 0.56
JAK3 P52333 6/20 0.56
BRD4 O60885 7/20 0.51
AURKA O14965 3/20 0.48
SYK P43405 3/20 0.48
CYP3A4 P08684 4/20 0.47
HDAC1 Q13547 1/20 0.45
IGF1R P08069 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
SCHEMBL271520 0.90 AURKA (0.51) JAK2JAK1JAK3BRD4AURKA
SCHEMBL270503 0.90 JAK2 (0.56) JAK2JAK1JAK3BRD4AURKA
SCHEMBL271507 0.85 BRD4 (0.62) JAK2JAK1JAK3BRD4CYP3A4
SCHEMBL270949 0.84 BRD4 (0.49) BRD4AURKASYK
SCHEMBL271021 0.82 SYK (0.68) JAK2JAK3BRD4AURKASYK
SCHEMBL14364688 0.82 EGFR (0.62) BRD4AURKASYKIGF1R
Trifluoroacetic Acid SCHEMBL265972 0.82 JAK2 (0.51) JAK2JAK1JAK3BRD4AURKA
SCHEMBL271050 0.81 AURKA (0.46) JAK2JAK1JAK3BRD4AURKA
SCHEMBL270995 0.81 BRD4 (0.61) JAK2JAK1JAK3BRD4AURKA
SCHEMBL270515 0.80 SYK (0.51) JAK2JAK1JAK3BRD4AURKA

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-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
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (4 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK2 1/4885JAK1 4/4885JAK3 3/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK2 1/4885JAK1 4/4885JAK3 3/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 JAK2 1/4885JAK1 4/4885JAK3 3/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B JAK2 1/4885JAK1 4/4885JAK3 5/4885

“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.