SCHEMBL2496549

SCHEMBL2496549

Cc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)Nc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.56
MAPK14 Q16539 6/20 0.56
KDR P35968 5/20 0.56
BTK Q06187 4/20 0.53
BLK P51451 2/20 0.53
SYK P43405 1/20 0.53
JAK2 O60674 3/20 0.52
BRD4 O60885 2/20 0.52
JAK1 P23458 2/20 0.52
HDAC1 Q13547 2/20 0.52
RET P07949 1/20 0.52
TYK2 P29597 1/20 0.52
FLT3 P36888 1/20 0.52
JAK3 P52333 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MCHR1 Q99705 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
SRC P12931 2/20 0.49
MET P08581 1/20 0.49

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
SCHEMBL12190174 0.88 BTK (0.62) LCKMAPK14KDRBTKBLK
SCHEMBL2493240 0.87 LCK (0.53) LCKMAPK14KDRJAK2BRD4
SCHEMBL12190215 0.86 BRD4 (0.57) LCKMAPK14KDRBTKBLK
SCHEMBL2492374 0.85 LCK (0.68) LCKMAPK14KDRBTKBLK
SCHEMBL2493709 0.84 LCK (0.70) LCKMAPK14KDRBTKBLK
SCHEMBL2499241 0.83 BTK (0.56) LCKMAPK14KDRBTKBLK
SCHEMBL14304874 0.83 BTK (0.58) LCKMAPK14KDRBTKBLK
SCHEMBL2493957 0.82 BTK (0.51) LCKMAPK14KDRBTKBLK
SCHEMBL2494902 0.81 BTK (0.56) BTKBLKSYK
SCHEMBL5998386 0.81 JAK2 (0.59) LCKKDRBTKBLKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 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 (1 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 LCK 9/4885MAPK14 534/4885KDR 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.