SCHEMBL18884553

SCHEMBL18884553

NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.65
▸ LCK P06239 8/20 0.65
▸ SYK P43405 3/20 0.56
▸ RET P07949 2/20 0.53
▸ ROS1 P08922 2/20 0.53
▸ FLT3 P36888 2/20 0.53
▸ EML4 Q9HC35 1/20 0.53
▸ ALK Q9UM73 1/20 0.53
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ BTK Q06187 6/20 0.49
▸ HTT P42858 1/20 0.46
▸ EGFR P00533 1/20 0.44

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
SCHEMBL23081101 0.89 FLT3 (0.57) JAK3LCKSYKRETROS1
SCHEMBL18884550 0.85 JAK3 (0.62) JAK3LCKSYKEML4ALK
SCHEMBL18884551 0.84 BTK (0.64) JAK3LCKSYKBTKEGFR
SCHEMBL16763521 0.80 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL16763518 0.80 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL18884637 0.80 BTK (0.64) JAK3LCKSYKBTKEGFR
SCHEMBL13405517 0.80 PIM1 (0.57) JAK3LCKSYKRETROS1
SCHEMBL14955463 0.80 SYK (0.72) JAK3LCKSYKRETROS1
SCHEMBL18884583 0.78 JAK3 (0.66) JAK3LCKBTKEGFR
SCHEMBL16195714 0.78 FLT3 (0.66) JAK3LCKSYKRETROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — 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 (2 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 53/4885LCK 3/4885SYK 4/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 60/4885LCK 3/4885SYK 4/4885

“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.

Send feedback