SCHEMBL2492392

SCHEMBL2492392

Cc1ccc(Nc2nccc3ccccc23)cc1C(=O)Nc1cnc(Nc2cccc(OCCN3CCCC3)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.51
BLK P51451 12/20 0.51
SYK P43405 2/20 0.49
BRD4 O60885 4/20 0.47
JAK1 P23458 4/20 0.47
HDAC1 Q13547 2/20 0.47
JAK2 O60674 4/20 0.47
JAK3 P52333 4/20 0.47
RET P07949 2/20 0.47
TYK2 P29597 2/20 0.47
FLT3 P36888 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BRDT Q58F21 2/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
LCK P06239 2/20 0.46
KDR P35968 2/20 0.46
MAPK14 Q16539 1/20 0.46
BMPR1B O00238 1/20 0.46

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 0.85 BTK (0.62) BTKBLKSYKLCKKDR
SCHEMBL2494902 0.84 BTK (0.56) BTKBLKSYK
SCHEMBL2499241 0.82 BTK (0.56) BTKBLKSYKJAK3LCK
SCHEMBL14304874 0.82 BTK (0.58) BTKBLKSYKLCKKDR
SCHEMBL2493957 0.81 BTK (0.51) BTKBLKSYKLCKKDR
SCHEMBL3095338 0.80 LCK (0.71) BRD4JAK3LCKKDRMAPK14
SCHEMBL14304339 0.80 BTK (0.57) BTKBLKSYKLCKKDR
SCHEMBL2492374 0.80 LCK (0.68) BTKBLKJAK3LCKKDR
SCHEMBL2496549 0.80 LCK (0.56) BTKBLKSYKBRD4JAK1
SCHEMBL2492307 0.79 LCK (0.74) BTKBLKJAK3LCKKDR

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 BTK 44/4885BLK 71/4885SYK 46/4885

“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.