SCHEMBL13835324

SCHEMBL13835324

CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(N3CCOCC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ PIM1 P11309 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SHMT2 P34897 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13835404 0.84 PARP1 (0.54) PARP1ALDH1A1KDM4E
SCHEMBL13964716 0.81 PARP1 (0.42) PARP1ALDH1A1KDM4E
SCHEMBL21268752 0.78 HRH3 (0.39) GAAPARP1ALDH1A1KMT2ANPC1
SCHEMBL21268762 0.78 GPR119 (0.42) PARP1KMT2AMEN1
SCHEMBL22801977 0.74 MAP4K4 (0.49) PARP1ALDH1A1HTTNPC1RAB9A
SCHEMBL22822852 0.73 F10 (0.37) PARP1NPC1RAB9ACDK8
SCHEMBL21268948 0.73 F10 (0.37) PARP1NPC1RAB9ACDK8
SCHEMBL4218735 0.69 — —
SCHEMBL26248560 0.65 GAA (0.42) SMPD3GAAPIM1ALDH1A1HTT
SCHEMBL14288345 0.65 HTR3A (0.46) GAAALDH1A1SMN1; SMN2KMT2AMEN1

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 9 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
EP-2709997-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 — — EP disclosed
CN-103582637-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2014-02-12 — — CN disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 — — WO 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 SMPD3 1273/4885GAA 918/4885PIM1 359/4885

“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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