SCHEMBL16749767

SCHEMBL16749767

Cc1ccc(COc2cc(F)cc(Oc3ccc(-n4cc(C(C)C)c(N)c4C#N)cc3)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.35
▸ PPARG P37231 1/20 0.31
▸ ALOX5 P09917 5/20 0.31
▸ MCHR1 Q99705 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16749825 0.92 BTK (0.41) BTKPPARGALOX5
SCHEMBL16749820 0.85 BTK (0.38) BTKMCHR1
SCHEMBL15614922 0.83 BTK (0.37) BTKKDM4EALDH1A1
SCHEMBL16749768 0.83 BTK (0.36) BTKALOX5
SCHEMBL16749770 0.81 BTK (0.40) BTKALOX5
SCHEMBL16749818 0.76 BTK (0.45) BTKMCHR1
SCHEMBL15615087 0.76 BTK (0.39) BTKMCHR1
SCHEMBL18127520 0.76 SCN9A (0.32) —
SCHEMBL16749771 0.75 BTK (0.44) BTKPPARGALOX5
SCHEMBL15615238 0.75 BTK (0.43) BTKPPARGKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289236-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-10-06 — — US disclosed
WO-2015074135-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-05-28 — — 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 (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-20160289236-A1 Protein Kinase Inhibitors TEC, LCK, SRC BTK 6/4885PPARG 4142/4885ALOX5 4117/4885

“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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