SCHEMBL266270

SCHEMBL266270

Cc1c(Nc2ccc(C(F)(F)F)cc2)nc(N)nc1-c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
BACE1 P56817 2/20 0.50
SLC2A1 P11166 1/20 0.48
AXL P30530 3/20 0.47
BRD4 O60885 3/20 0.45
JAK1 P23458 3/20 0.45
HDAC1 Q13547 3/20 0.45
JAK2 O60674 2/20 0.45
JAK3 P52333 2/20 0.45
SRC P12931 2/20 0.45
RET P07949 1/20 0.45
TYK2 P29597 1/20 0.45
FLT3 P36888 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PTK2 Q05397 1/20 0.45
CDK1 P06493 1/20 0.45

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
SCHEMBL266734 0.90 SRC (0.49) LTA4HBACE1AXLBRD4JAK1
SCHEMBL267158 0.90 SLC2A1 (0.51) LTA4HBACE1SLC2A1AXLBRD4
SCHEMBL265641 0.86 AXL (0.47) BACE1SLC2A1AXLSRCRET
SCHEMBL264781 0.84 ADORA2A (0.46) LTA4HSLC2A1AXLBRD4JAK1
SCHEMBL265183 0.83 BRD4 (0.47) LTA4HSLC2A1AXLBRD4JAK1
SCHEMBL265815 0.83 AXL (0.51) BACE1AXLSRCRETTYK2
SCHEMBL265050 0.81 LTA4H (0.48) LTA4HBACE1AXLBRD4JAK2
SCHEMBL265711 0.78 LTA4H (0.52) LTA4HAXLBRD4JAK1JAK2
SCHEMBL270660 0.77 JAK3 (0.72) LTA4HBACE1SLC2A1AXLBRD4
SCHEMBL266079 0.77 BRD4 (0.57) SLC2A1AXLBRD4JAK1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US 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-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
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 (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 LTA4H 626/4885BACE1 4487/4885SLC2A1 4666/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885BACE1 4739/4885SLC2A1 4727/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885BACE1 4739/4885SLC2A1 4727/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 LTA4H 3846/4885BACE1 4739/4885SLC2A1 4727/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 LTA4H 3846/4885BACE1 4739/4885SLC2A1 4727/4885

“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.