SCHEMBL15058429

SCHEMBL15058429

Cc1cnc(Nc2cnn(CC(F)F)c2)nc1NC[C@H]1CCN(C(=O)CC#N)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.53
JAK2 O60674 10/20 0.52
JAK3 P52333 7/20 0.46
BTK Q06187 2/20 0.46
AURKA O14965 1/20 0.46
TBK1 Q9UHD2 1/20 0.45
TYK2 P29597 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
SCHEMBL15058430 1.00 JAK1 (0.53) JAK1JAK2JAK3BTKAURKA
SCHEMBL15058843 0.92 JAK3 (0.45) JAK1JAK2JAK3BTKTBK1
SCHEMBL15058844 0.92 JAK3 (0.45) JAK1JAK2JAK3BTKTBK1
SCHEMBL15059138 0.85 JAK1 (0.49) JAK1JAK2JAK3BTKAURKA
SCHEMBL15059753 0.85 JAK1 (0.49) JAK1JAK2JAK3BTKAURKA
SCHEMBL15059139 0.85 JAK1 (0.49) JAK1JAK2JAK3BTKAURKA
SCHEMBL15059532 0.84 JAK2 (0.45) JAK1JAK2JAK3TYK2
SCHEMBL15059530 0.84 JAK2 (0.45) JAK1JAK2JAK3TYK2
SCHEMBL15056030 0.81 JAK1 (0.55) JAK1JAK2JAK3AURKATYK2
SCHEMBL16337111 0.81 JAK1 (0.55) JAK1JAK2JAK3AURKATYK2

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 6 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
EP-2794598-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2014-10-29 EP disclosed
WO-2013092854-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2013-06-27 WO 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 JAK1 2/4885JAK2 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.