SCHEMBL18283704

SCHEMBL18283704

C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2)CCCN1c1nnc(C(N)=O)c(Nc2cnn(C)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.54
▸ BTK Q06187 11/20 0.54
▸ LCK P06239 11/20 0.47
▸ EGFR P00533 7/20 0.47
▸ MAP4K1 Q92918 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
SCHEMBL23081087 0.92 BTK (0.54) JAK3BTKLCKEGFR
SCHEMBL23081059 0.91 JAK3 (0.48) JAK3BTKLCKEGFR
SCHEMBL18283835 0.91 BTK (0.56) JAK3BTKLCKEGFRMAP4K1
SCHEMBL23081060 0.90 JAK3 (0.46) JAK3BTKLCKEGFRMAP4K1
SCHEMBL23080595 0.90 BTK (0.45) JAK3BTKLCKEGFRMAP4K1
SCHEMBL18283548 0.90 BTK (0.49) JAK3BTKLCKEGFRMAP4K1
SCHEMBL23080607 0.90 JAK3 (0.45) JAK3BTKLCKEGFRMAP4K1
SCHEMBL23080696 0.89 JAK3 (0.45) JAK3BTKLCKEGFR
SCHEMBL23081088 0.89 BTK (0.51) JAK3BTKLCKEGFR
SCHEMBL23080695 0.88 JAK3 (0.44) JAK3BTKLCKEGFR

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 JAK3 64/4885BTK 1/4885LCK 3/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK JAK3 64/4885BTK 1/4885LCK 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.

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