SCHEMBL18296125

SCHEMBL18296125

CN1CCN(C(=O)c2ccc(Nc3nc(N[C@H]4CC[C@@H](NC(=O)c5ccc(C6CC6)cc5F)CC4)cnc3C(N)=O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 11/20 0.50
▸ JAK3 P52333 11/20 0.50
▸ EGFR P00533 7/20 0.50
▸ BRD4 O60885 2/20 0.44
▸ BMPR1B O00238 2/20 0.44
▸ BMPR1A P36894 2/20 0.44
▸ ACVRL1 P37023 2/20 0.44
▸ ACVR1 Q04771 2/20 0.44
▸ EML4 Q9HC35 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ SYK P43405 2/20 0.43
▸ BTK Q06187 2/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42

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
SCHEMBL18283655 1.00 LCK (0.50) LCKJAK3EGFRBRD4BMPR1B
SCHEMBL18283654 1.00 LCK (0.50) LCKJAK3EGFRBRD4BMPR1B
SCHEMBL18283574 0.82 JAK3 (0.59) LCKJAK3EGFRBTK
SCHEMBL18283443 0.82 SYK (0.51) LCKJAK3EGFREML4ALK
SCHEMBL18283441 0.82 SYK (0.51) LCKJAK3EGFREML4ALK
SCHEMBL18283971 0.81 BTK (0.63) LCKJAK3EGFRBTK
SCHEMBL18283969 0.81 BTK (0.63) LCKJAK3EGFRBTK
SCHEMBL18296366 0.81 BTK (0.63) LCKJAK3EGFRBTK
SCHEMBL23080791 0.76 JAK3 (0.69) LCKJAK3EGFRBTK
SCHEMBL18296256 0.76 JAK3 (0.57) LCKJAK3EGFRBTK

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-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
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 LCK 3/4885JAK3 64/4885EGFR 705/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK LCK 3/4885JAK3 64/4885EGFR 705/4885

“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.

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