SCHEMBL264885

SCHEMBL264885

c1ccc(Cc2ccnc(Nc3ccc(OCCN4CCCC4)cc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.70
LTA4H P09960 10/20 0.59
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
PTK2 Q05397 1/20 0.54
AXL P30530 1/20 0.54
BRAF P15056 1/20 0.53
HRH2 P25021 1/20 0.53
KDR P35968 2/20 0.52
EGFR P00533 1/20 0.52
INSR P06213 1/20 0.52
IGF1R P08069 1/20 0.52
MET P08581 1/20 0.52
CDK2 P24941 1/20 0.52
TEK Q02763 1/20 0.52
BACE1 P56817 1/20 0.51
YES1 P07947 1/20 0.51
SRC P12931 1/20 0.51
EPHB4 P54760 1/20 0.51
PSMB1 P20618 1/20 0.50

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
SCHEMBL12109533 0.84 HRH3 (0.77) HRH3LTA4HJAK2JAK3PTK2
SCHEMBL4254804 0.81 AXL (0.64) HRH3LTA4HJAK2JAK3PTK2
SCHEMBL264908 0.81 HRH3 (0.59) HRH3LTA4HJAK2JAK3PTK2
SCHEMBL12278133 0.80 HRH3 (0.69) HRH3JAK2JAK3PTK2AXL
SCHEMBL4074376 0.80 HRH3 (0.62) HRH3JAK2JAK3PTK2AXL
SCHEMBL29370842 0.78 BRAF (0.68) HRH3JAK2JAK3PTK2AXL
SCHEMBL11877770 0.77 HRH3 (0.83) HRH3LTA4HHRH2PSMB1PSMB5
SCHEMBL11877113 0.76 HRH3 (0.86) HRH3LTA4HHRH2PSMB1PSMB5
SCHEMBL11882995 0.76 HRH3 (0.86) HRH3LTA4HHRH2PSMB1PSMB5
SCHEMBL270635 0.76 MEN1 (0.67) HRH3LTA4HJAK2JAK3AXL

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 34 patents — showing the first 20. 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
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
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-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 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-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 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-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 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
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO 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 (3 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 HRH3 1487/4885LTA4H 3846/4885JAK2 1/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HRH3 1487/4885LTA4H 3846/4885JAK2 1/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B HRH3 4680/4885LTA4H 2163/4885JAK2 1/4885

“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.