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SCHEMBL4086250

SCHEMBL4086250

CN(C)CCCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C4CC4)cc3)c2CO)cn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.42
▸ MAPK14 Q16539 1/20 0.38
▸ CLK2 P49760 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ FYN P06241 3/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TET3 O43151 1/20 0.34
▸ TET2 Q6N021 1/20 0.34
▸ TET1 Q8NFU7 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RAD52 P43351 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
SCHEMBL4096761 0.89 BTK (0.43) BTKCLK2HDAC6
SCHEMBL4091053 0.87 BTK (0.43) BTKCLK2HDAC6
SCHEMBL3867072 0.85 BTK (0.49) BTKMAPK14CLK2
SCHEMBL4081138 0.80 BTK (0.58) BTKHDAC6
SCHEMBL4080694 0.79 BTK (0.49) BTKHDAC6ACKR3TEKL3MBTL1
SCHEMBL4085015 0.78 BTK (0.49) BTKHDAC6FYNACKR3L3MBTL1
SCHEMBL4086332 0.77 BTK (0.48) BTKHDAC6IRAK4
SCHEMBL4095342 0.76 BTK (0.39) BTKMAPK14HDAC6KDM4EL3MBTL1
SCHEMBL4085680 0.76 BTK (0.41) BTK
SCHEMBL4095924 0.75 BTK (0.49) BTKHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US claimed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 — — US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 — — 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN BTK 1/4885MAPK14 433/4885CLK2 351/4885

“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.