SCHEMBL21207729

SCHEMBL21207729

COc1ccccc1-c1nc2c(-c3ccc(CNC(=O)c4ccc(C(C)(C)Cn5c(-c6ccccc6)nc6c(-c7ccc(CN)c(F)c7)ccnc65)cc4)c(F)c3)ccnc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.57
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE11A Q9HCR9 1/20 0.34
▸ LCK P06239 2/20 0.33

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
SCHEMBL17660316 0.83 BTK (0.80) BTKROCK2ROCK1DGAT2
SCHEMBL17645980 0.79 BTK (0.60) BTK
SCHEMBL17645928 0.78 BTK (0.63) BTKROCK2ROCK1HTTDGAT2
SCHEMBL17645759 0.78 BTK (0.50) BTK
SCHEMBL17645990 0.76 BTK (0.60) BTK
SCHEMBL17645914 0.73 BTK (0.62) BTKLCK
SCHEMBL17646051 0.69 BTK (0.45) BTK
SCHEMBL17664692 0.69 BTK (0.46) BTKLCK
SCHEMBL17660349 0.69 BTK (0.44) BTKROCK2
SCHEMBL17645673 0.69 BTK (0.80) BTKLCK

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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — 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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885ROCK2 574/4885ROCK1 698/4885

“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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