SCHEMBL270505

SCHEMBL270505

CCN(CC)S(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.50
BRD4 O60885 4/20 0.50
HDAC1 Q13547 4/20 0.50
JAK2 O60674 7/20 0.49
JAK3 P52333 12/20 0.49
RET P07949 3/20 0.49
WEE1 P30291 3/20 0.49
FLT3 P36888 3/20 0.49
ALK Q9UM73 3/20 0.49
BRDT Q58F21 2/20 0.49
BUB1B O60566 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
SYK P43405 5/20 0.47
EGFR P00533 4/20 0.47
TYK2 P29597 4/20 0.47
BTK Q06187 3/20 0.47
PLK4 O00444 2/20 0.47
CHEK1 O14757 2/20 0.47
AURKA O14965 2/20 0.47

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
SCHEMBL17915907 0.89 JAK3 (0.49) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL270658 0.89 JAK1 (0.51) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL301482 0.88 JAK3 (0.48) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL270248 0.85 JAK1 (0.59) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL270524 0.84 JAK1 (0.53) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL270596 0.84 JAK3 (0.64) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL270501 0.83 JAK1 (0.56) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL270232 0.83 BRD4 (0.66) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL14536301 0.83 JAK1 (0.49) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL270603 0.80 BRD4 (0.63) JAK1BRD4HDAC1JAK2JAK3

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 12 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-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-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 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 (6 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK JAK1 6/4885BRD4 156/4885HDAC1 2627/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK1 4/4885BRD4 142/4885HDAC1 2927/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK1 4/4885BRD4 142/4885HDAC1 2927/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 JAK1 4/4885BRD4 142/4885HDAC1 2927/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 JAK1 4/4885BRD4 142/4885HDAC1 2927/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B JAK1 4/4885BRD4 1036/4885HDAC1 2325/4885

“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.