SCHEMBL306756

SCHEMBL306756

CCNc1ncc(C)c(Nc2cccc(C3CCN(CCO)CC3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.47
JAK2 O60674 3/20 0.47
BRD4 O60885 6/20 0.47
JAK3 P52333 4/20 0.46
CACNA2D1 P54289 5/20 0.44
SYK P43405 1/20 0.44
INSR P06213 1/20 0.44
ALK Q9UM73 1/20 0.44
SLC6A2 P23975 3/20 0.44
EGFR P00533 2/20 0.42
SLC18A3 Q16572 1/20 0.42

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
SCHEMBL270267 0.88 BRD4 (0.51) JAK1JAK2BRD4JAK3SYK
SCHEMBL12109566 0.84 JAK1 (0.59) JAK1JAK2BRD4JAK3EGFR
SCHEMBL264968 0.84 BRD4 (0.64) JAK1JAK2BRD4JAK3
SCHEMBL310838 0.82 CACNA2D1 (0.49) JAK1JAK2BRD4JAK3CACNA2D1
SCHEMBL14536300 0.82 PDGFRB (0.56) JAK1JAK2BRD4JAK3
SCHEMBL14390070 0.79 BRD4 (0.46) JAK1JAK2BRD4JAK3CACNA2D1
SCHEMBL305045 0.74 SYK (0.78) JAK3SYKEGFR
SCHEMBL305864 0.72 JAK1 (0.59) JAK1JAK2BRD4JAK3SYK
SCHEMBL12321383 0.72 SYK (0.55) JAK1JAK2JAK3SYKEGFR
SCHEMBL301773 0.71 MAP3K7 (0.60) JAK3SYKEGFR

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 6 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-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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 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 (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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK JAK1 6/4885JAK2 1/4885BRD4 156/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 JAK1 4/4885JAK2 1/4885BRD4 142/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 JAK1 4/4885JAK2 1/4885BRD4 142/4885

“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.