SCHEMBL265050

SCHEMBL265050

COc1cccc(Nc2nc(N)nc(-c3ccc(OCCN4CCCC4)cc3)c2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
SRC P12931 4/20 0.47
YES1 P07947 2/20 0.47
ADORA2A P29274 6/20 0.47
ADORA1 P30542 5/20 0.47
AXL P30530 1/20 0.45
BACE1 P56817 1/20 0.45
BRD4 O60885 2/20 0.45
JAK2 O60674 1/20 0.44
BRD2 P25440 1/20 0.44
JAK3 P52333 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 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
SCHEMBL264781 0.90 ADORA2A (0.46) LTA4HSRCYES1ADORA2AADORA1
SCHEMBL265183 0.88 BRD4 (0.47) LTA4HSRCYES1ADORA2AADORA1
SCHEMBL267158 0.87 SLC2A1 (0.51) LTA4HSRCYES1ADORA2AADORA1
SCHEMBL265711 0.85 LTA4H (0.52) LTA4HSRCYES1ADORA2AADORA1
SCHEMBL266734 0.85 SRC (0.49) LTA4HSRCYES1ADORA2AADORA1
SCHEMBL265815 0.84 AXL (0.51) SRCYES1ADORA2AADORA1AXL
SCHEMBL266270 0.81 LTA4H (0.52) LTA4HSRCADORA2AADORA1AXL
SCHEMBL266079 0.81 BRD4 (0.57) SRCYES1ADORA2AADORA1AXL
SCHEMBL265641 0.80 AXL (0.47) SRCYES1ADORA2AADORA1AXL
SCHEMBL266809 0.78 LTA4H (0.42) LTA4HSRCYES1ADORA2AADORA1

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 626/4885SRC 73/4885YES1 642/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885SRC 80/4885YES1 386/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885SRC 80/4885YES1 386/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 LTA4H 3846/4885SRC 80/4885YES1 386/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 LTA4H 3846/4885SRC 80/4885YES1 386/4885

“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.