SCHEMBL18283652

SCHEMBL18283652

C=CC(=O)N1CCC[C@H](Nc2cnc(C(N)=O)c(Nc3ccc(-c4ncccn4)cc3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.52
▸ JAK3 P52333 9/20 0.52
▸ LCK P06239 4/20 0.52
▸ ITK Q08881 1/20 0.51
▸ BTK Q06187 6/20 0.49
▸ SYK P43405 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
SCHEMBL18283656 1.00 EGFR (0.52) EGFRJAK3LCKITKBTK
SCHEMBL23081177 0.94 BTK (0.47) EGFRJAK3LCKITKBTK
SCHEMBL20540579 0.88 BTK (0.64) EGFRJAK3LCKITKBTK
SCHEMBL18296246 0.88 BTK (0.64) EGFRJAK3LCKITKBTK
SCHEMBL23081155 0.86 BTK (0.53) EGFRJAK3LCKITKBTK
SCHEMBL18296216 0.86 EGFR (0.52) EGFRJAK3LCKITKBTK
SCHEMBL20539794 0.86 EGFR (0.52) EGFRJAK3LCKITKBTK
SCHEMBL20540724 0.85 EGFR (0.53) EGFRJAK3ITKBTK
SCHEMBL23080727 0.83 EGFR (0.49) EGFRJAK3LCKITKBTK
SCHEMBL20540024 0.83 JAK3 (0.62) EGFRJAK3LCKBTK

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