SCHEMBL14670699

SCHEMBL14670699

N#CCC(=O)N1CCCC(Nc2nc(Nc3ccc(C(N)=O)cc3)nc3c2CCN3)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.49
BTK Q06187 5/20 0.49
JAK2 O60674 11/20 0.44
JAK1 P23458 3/20 0.44
SYK P43405 1/20 0.43
EGFR P00533 2/20 0.41
LCK P06239 2/20 0.41

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
SCHEMBL1018112 0.83 JAK3 (0.69) JAK3BTKJAK2JAK1
SCHEMBL12085371 0.79 SYK (0.51) BTKSYK
SCHEMBL4377726 0.73 JAK3 (0.56) JAK3BTKJAK2JAK1
SCHEMBL13859261 0.71 EGFR (0.59) JAK3BTKJAK2JAK1EGFR
SCHEMBL14320055 0.70 CDK2 (0.44) JAK3JAK2SYKLCK
SCHEMBL14311440 0.70 LRRK2 (0.40) JAK3JAK2SYKLCK
SCHEMBL18656942 0.69 SYK (0.44) SYK
SCHEMBL23195805 0.68 MAPK8 (0.58) JAK3BTKJAK2JAK1SYK
SCHEMBL23196346 0.68 JAK3 (0.51) JAK3BTKJAK2JAK1
SCHEMBL14320053 0.67 LRRK2 (0.44) JAK3BTKJAK2JAK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US 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-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 JAK3 6/4885BTK 2/4885JAK2 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.