SCHEMBL12595608

SCHEMBL12595608

CC(C)(CCCC1CCNCC1)[Si](C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
GNAO1 P09471 3/20 0.35
GNAI3 P08754 2/20 0.34
GNAI1 P63096 2/20 0.34
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
SLC6A4 P31645 1/20 0.32
GBA1 P04062 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL12594307 0.89 HRH3 (0.35) FAAHHRH3ITGB3ITGA2BGNAO1
SCHEMBL12143593 0.81 GNAO1 (0.33) FAAHHRH3GNAO1GNAI3GNAI1
SCHEMBL11312978 0.76 ITGB3 (0.39) FAAHHRH3ITGB3ITGA2BGNAO1
SCHEMBL25926974 0.76 GNAO1 (0.41) FAAHHRH3ITGB3ITGA2BGNAO1
SCHEMBL13107605 0.74 SLC6A1 (0.40) HRH3
SCHEMBL13221839 0.74 SLC6A1 (0.40) HRH3
SCHEMBL7928325 0.73
SCHEMBL331124 0.72 HRH3 (0.47) FAAHHRH3ITGB3ITGA2BGNAO1
SCHEMBL237382 0.72 ITGB3 (0.47) FAAHHRH3ITGB3ITGA2BGNAO1
SCHEMBL14007323 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 US disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 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 (2 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-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS CDK4, CDKL4, CDK2 FAAH 4084/4885HRH3 1757/4885ITGB3 4691/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 FAAH 4084/4885HRH3 1757/4885ITGB3 4691/4885

“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.