SCHEMBL13835157

SCHEMBL13835157

CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCN(C)C)nc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.41
▸ RET P07949 3/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ DNM2 P50570 5/20 0.36
▸ KDR P35968 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ MET P08581 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL12128265 0.68 ALK (0.35) —
SCHEMBL4218735 0.67 — —
SCHEMBL12128262 0.67 GRM5 (0.37) —
SCHEMBL6395494 0.66 NCF1 (0.56) PIM1HRH3CYP2C19
SCHEMBL12128269 0.66 EPHB4 (0.42) —
SCHEMBL15360078 0.63 HRH3 (0.48) PIM1HRH3PIM2RETCYP2C19
SCHEMBL23006098 0.62 CYP2C19 (0.50) PIM1HRH3CYP2C19DNM2HRH4
SCHEMBL6027125 0.61 CYP2C19 (0.57) HRH3CYP2C19DNM2
SCHEMBL11447765 0.60 CYP2C19 (0.56) PIM1HRH3CYP2C19DNM2IRAK4
SCHEMBL3222006 0.60 HRH3 (0.59) PIM1HRH3CYP2C19DNM2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 — — EP disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 — — US disclosed
CN-103582637-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2014-02-12 — — CN disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 — — US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 — — 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-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN PIM1 359/4885HRH3 2150/4885PIM2 519/4885

“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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