SCHEMBL309858

SCHEMBL309858

CCNc1ncc(C)c(Nc2cccc(S(=O)(=O)C3CCNCC3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.47
JAK2 O60674 4/20 0.47
JAK3 P52333 12/20 0.47
EGFR P00533 4/20 0.47
BTK Q06187 3/20 0.47
BRD4 O60885 4/20 0.46
SYK P43405 4/20 0.45
RET P07949 2/20 0.45
WEE1 P30291 2/20 0.45
FLT3 P36888 2/20 0.45
ALK Q9UM73 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DCLK1 O15075 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 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
SCHEMBL17915909 0.89 JAK1 (0.49) JAK1JAK2JAK3EGFRBTK
SCHEMBL306757 0.87 JAK1 (0.45) JAK1JAK2JAK3EGFRBTK
SCHEMBL12111060 0.87 BRD4 (0.58) JAK1JAK2JAK3EGFRBTK
SCHEMBL270526 0.87 NUAK1 (0.48) JAK1JAK2JAK3EGFRBTK
SCHEMBL10261607 0.82 JAK1 (0.59) JAK1JAK2JAK3EGFRBTK
SCHEMBL310838 0.81 CACNA2D1 (0.49) JAK1JAK2JAK3EGFRBTK
SCHEMBL10260564 0.81 JAK3 (0.64) JAK1JAK2JAK3EGFRBTK
SCHEMBL264206 0.80 BRD4 (0.73) JAK1JAK2JAK3BRD4RET
SCHEMBL301681 0.80 BRD4 (0.61) JAK1JAK2JAK3EGFRBTK
SCHEMBL10261765 0.80 JAK3 (0.49) JAK1JAK2JAK3EGFRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 JAK1 4/4885JAK2 1/4885JAK3 3/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 JAK1 4/4885JAK2 1/4885JAK3 3/4885

“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.