SCHEMBL15071972

SCHEMBL15071972

C=CC(=O)N1CCCC[C@@H]1CNc1nc(Nc2cnn(C)c2)ncc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.56
AURKB Q96GD4 7/20 0.54
KDR P35968 6/20 0.54
JAK1 P23458 8/20 0.53
JAK2 O60674 6/20 0.53
TTK P33981 1/20 0.53
AURKA O14965 5/20 0.50
TYK2 P29597 1/20 0.49
FLT3 P36888 1/20 0.49
CDC7 O00311 1/20 0.49
DAPK3 O43293 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
PIM1 P11309 1/20 0.49
PRKACA P17612 1/20 0.49
CDK2 P24941 1/20 0.49
SYK P43405 1/20 0.49
CSNK1A1 P48729 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
SCHEMBL15056666 1.00 JAK3 (0.56) JAK3AURKBKDRJAK1JAK2
SCHEMBL15072054 1.00 JAK3 (0.56) JAK3AURKBKDRJAK1JAK2
SCHEMBL15072052 0.97 JAK3 (0.56) JAK3AURKBKDRJAK1JAK2
SCHEMBL15056853 0.97 JAK3 (0.56) JAK3AURKBKDRJAK1JAK2
SCHEMBL15071799 0.97 JAK3 (0.56) JAK3AURKBKDRJAK1JAK2
SCHEMBL15056438 0.90 AURKB (0.56) JAK3AURKBKDRJAK1JAK2
SCHEMBL15071801 0.90 AURKB (0.56) JAK3AURKBKDRJAK1JAK2
SCHEMBL15071802 0.90 AURKB (0.56) JAK3AURKBKDRJAK1JAK2
SCHEMBL15059032 0.90 JAK1 (0.54) JAK3AURKBKDRJAK1JAK2
SCHEMBL15059031 0.90 JAK1 (0.54) JAK3AURKBKDRJAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US claimed
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US disclosed
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US disclosed
US-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2015-01-01 US disclosed
WO-2013092854-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2013-06-27 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-20150005281-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS JAK2, JAK1, JAK3 JAK3 3/4885AURKB 49/4885KDR 2835/4885

“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.