SCHEMBL20358844

SCHEMBL20358844

C=CC(=O)N1CCC(Nc2n[nH]c3nccc(-c4ccc(CNC(=O)c5ccc(C(F)(F)F)cc5)c(F)c4)c23)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.49
▸ KCNH2 Q12809 1/20 0.42
▸ TEAD1 P28347 3/20 0.42
▸ JAK3 P52333 4/20 0.40
▸ ITK Q08881 1/20 0.39

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
SCHEMBL20358680 1.00 BTK (0.49) BTKKCNH2TEAD1JAK3ITK
SCHEMBL20358506 0.94 BTK (0.56) BTKKCNH2JAK3
SCHEMBL20359140 0.94 BTK (0.56) BTKKCNH2JAK3
SCHEMBL20358504 0.94 BTK (0.56) BTKKCNH2JAK3
SCHEMBL20359928 0.93 BTK (0.48) BTKKCNH2JAK3ITK
SCHEMBL20358996 0.93 BTK (0.48) BTKKCNH2JAK3ITK
SCHEMBL20359862 0.92 BTK (0.49) BTKKCNH2JAK3ITK
SCHEMBL20358822 0.92 BTK (0.49) BTKKCNH2JAK3ITK
SCHEMBL20359537 0.92 BTK (0.47) BTKKCNH2JAK3ITK
SCHEMBL20358817 0.92 BTK (0.47) BTKKCNH2JAK3ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — 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 (1 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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK BTK 1/4885KCNH2 2193/4885TEAD1 3537/4885

“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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