SCHEMBL15072175

SCHEMBL15072175

CCS(=O)(=O)N1CCC[C@@H]1CNc1nc(Nc2cnn(C)c2)ncc1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.54
JAK1 P23458 11/20 0.53
AURKB Q96GD4 10/20 0.53
JAK2 O60674 7/20 0.53
FLT3 P36888 4/20 0.52
TYK2 P29597 1/20 0.52
JAK3 P52333 1/20 0.52
KDR P35968 5/20 0.49
CDK19 Q9BWU1 1/20 0.49
ALK Q9UM73 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
SCHEMBL15056870 1.00 AURKA (0.54) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15059487 0.92 JAK1 (0.56) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15071798 0.92 JAK1 (0.56) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15059489 0.92 JAK1 (0.56) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15060153 0.92 AURKA (0.48) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15059428 0.91 AURKA (0.57) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15059747 0.89 AURKB (0.50) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15058426 0.89 AURKB (0.50) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15059878 0.89 JAK1 (0.55) AURKAJAK1AURKBJAK2FLT3
SCHEMBL15058314 0.89 JAK1 (0.55) AURKAJAK1AURKBJAK2FLT3

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 AURKA 126/4885JAK1 2/4885AURKB 49/4885

“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.