SCHEMBL20715902

SCHEMBL20715902

C=CC(=O)N1CCCC(Nc2nc(Nc3ccc(N(C)C(=O)CCCC)cc3)nc3[nH]cnc23)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.60
BTK Q06187 19/20 0.60
EGFR P00533 1/20 0.49
ITK Q08881 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
SCHEMBL2122034 0.93 JAK3 (0.63) JAK3BTKEGFRITK
SCHEMBL19928464 0.92 JAK3 (0.61) JAK3BTKEGFRITK
SCHEMBL10127678 0.90 JAK3 (0.58) JAK3BTKEGFRITK
SCHEMBL18018864 0.85 BTK (0.54) JAK3BTKITK
SCHEMBL10127675 0.84 SYK (0.52) JAK3BTKITK
SCHEMBL10127687 0.82 JAK3 (0.52) JAK3BTKEGFRITK
SCHEMBL10127715 0.80 BTK (0.76) JAK3BTKEGFR
SCHEMBL10127721 0.80 BTK (0.64) JAK3BTKEGFRITK
SCHEMBL10127688 0.79 JAK3 (0.58) JAK3BTKEGFR
SCHEMBL10127698 0.78 BTK (0.73) JAK3BTK

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-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 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-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 JAK3 37/4885BTK 84/4885EGFR 1/4885

“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.