SCHEMBL301350

SCHEMBL301350

CCNc1ncc(C)c(Nc2ccc3c(c2)OCO3)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.61
ULK1 O75385 7/20 0.56
STK17A Q9UEE5 2/20 0.56
STK17B O94768 1/20 0.51
CHEK1 O14757 1/20 0.48
FLT3 P36888 1/20 0.48
CDK1 P06493 1/20 0.47
ALOX15 P16050 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JUN P05412 1/20 0.44

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
SCHEMBL19654262 0.89 BRD4 (0.74) BRD4ULK1STK17ASTK17BCHEK1
SCHEMBL17915936 0.86 BRD4 (0.65) BRD4ULK1STK17ASTK17BCDK1
SCHEMBL19654332 0.86 BRD4 (0.57) BRD4ULK1STK17ASTK17BCHEK1
SCHEMBL19654310 0.84 ULK1 (0.76) BRD4ULK1STK17ASTK17BCHEK1
SCHEMBL19654308 0.84 ULK1 (0.76) BRD4ULK1STK17ASTK17BCHEK1
SCHEMBL270175 0.83 BRD4 (0.61) BRD4ULK1STK17ASTK17BCHEK1
SCHEMBL12111069 0.82 BRD4 (0.60) BRD4ULK1STK17ASTK17BCHEK1
SCHEMBL12279025 0.82 BRD4 (0.59) BRD4ULK1STK17AALOX15NPC1
SCHEMBL656136 0.81 BRD4 (0.74) BRD4ULK1STK17ASTK17BCHEK1
SCHEMBL19654299 0.81 BRD4 (0.67) BRD4ULK1STK17ACDK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
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-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-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 (5 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 BRD4 156/4885ULK1 549/4885STK17A 291/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885ULK1 514/4885STK17A 243/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRD4 142/4885ULK1 514/4885STK17A 243/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885ULK1 514/4885STK17A 243/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B BRD4 1036/4885ULK1 3364/4885STK17A 139/4885

“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.