SCHEMBL20867825

SCHEMBL20867825

CN1CCC[C@@H](n2ccc3cc(C4CC4)cc(F)c3c2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.39
▸ HTR6 P50406 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ CD69 Q07108 1/20 0.36
▸ YES1 P07947 1/20 0.34
▸ FGR P09769 1/20 0.34
▸ TEC P42680 1/20 0.34
▸ BMX P51813 1/20 0.34
▸ SLK Q9H2G2 1/20 0.34
▸ TYK2 P29597 1/20 0.34

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
SCHEMBL23080936 0.81 HTR6 (0.38) BTKHTR6KCNH2TYK2
SCHEMBL16764187 0.80 HRH3 (0.43) BTK
SCHEMBL16764188 0.80 HRH3 (0.43) BTK
SCHEMBL16786047 0.79 HTR6 (0.37) BTKHTR6
Hydrochloric Acid SCHEMBL16763471 0.78 BTK (0.36) BTKHTR6
Hydrochloric Acid SCHEMBL16763472 0.78 BTK (0.36) BTKHTR6
SCHEMBL20752427 0.77 BTK (0.47) BTKKCNH2CD69YES1FGR
SCHEMBL20365206 0.71 BTK (0.43) BTKKCNH2CD69
SCHEMBL25593938 0.70 BTK (0.36) BTK
SCHEMBL23080928 0.68 HTR2B (0.37) HTR6TYK2

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-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — 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-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK BTK 1/4885HTR6 3395/4885KCNH2 3431/4885

“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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