SCHEMBL18283443

SCHEMBL18283443

CN1CCN(C(=O)c2ccc(Nc3nc(NC4CCC(N)CC4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.51
▸ LCK P06239 7/20 0.50
▸ BTK Q06187 7/20 0.50
▸ JAK3 P52333 6/20 0.50
▸ EGFR P00533 4/20 0.50
▸ ALK Q9UM73 6/20 0.47
▸ EML4 Q9HC35 5/20 0.47
▸ RET P07949 4/20 0.47
▸ ROS1 P08922 4/20 0.47
▸ FLT3 P36888 4/20 0.47
▸ CDC7 O00311 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ RPS6KA5 O75582 1/20 0.45
▸ PRKD3 O94806 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
SCHEMBL18283441 1.00 SYK (0.51) SYKLCKBTKJAK3EGFR
SCHEMBL18283969 0.89 BTK (0.63) LCKBTKJAK3EGFR
SCHEMBL18296366 0.89 BTK (0.63) LCKBTKJAK3EGFR
SCHEMBL18283971 0.89 BTK (0.63) LCKBTKJAK3EGFR
SCHEMBL18283654 0.82 LCK (0.50) SYKLCKBTKJAK3EGFR
SCHEMBL18283655 0.82 LCK (0.50) SYKLCKBTKJAK3EGFR
SCHEMBL18296125 0.82 LCK (0.50) SYKLCKBTKJAK3EGFR
SCHEMBL16541266 0.81 EML4 (0.70) SYKLCKBTKJAK3ALK
SCHEMBL20540039 0.79 BTK (0.59) LCKBTKJAK3EGFR
SCHEMBL14955477 0.79 LCK (0.63) SYKLCKBTKJAK3EGFR

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 — — US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 — — EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — 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 (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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SYK 4/4885LCK 3/4885BTK 1/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SYK 4/4885LCK 3/4885BTK 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.

Send feedback