SCHEMBL4570555

SCHEMBL4570555

Cc1nccc(N[Si](C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 4/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.37
▸ PIK3C3 Q8NEB9 8/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ GRM4 Q14833 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CLK4 Q9HAZ1 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
SCHEMBL2751436 0.77 — —
SCHEMBL30803768 0.77 — —
SCHEMBL12724708 0.77 AURKA (0.34) CYP1A2CYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL14606030 0.76 — —
SCHEMBL10138646 0.76 — —
SCHEMBL18232212 0.74 SORT1 (0.43) SORT1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15357779 0.72 FLT3 (0.41) SORT1CYP1A2HRH4PIK3C3
SCHEMBL171800 0.72 HRH4 (0.46) SORT1HRH4PIK3C3GRM5
SCHEMBL396081 0.72 MAPK8 (0.32) —
SCHEMBL28726329 0.71 SORT1 (0.41) SORT1HRH4PIK3C3GRM5GRM4

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-9481705-B2 Modular radiochemistry synthesis system THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-01 — — US disclosed
US-20160130295-A1 MODULAR RADIOCHEMISTRY SYNTHESIS SYSTEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-12 — — US disclosed
US-9211520-B2 Modular radiochemistry synthesis system THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-15 — — US disclosed
US-20150329583-A1 MODULAR RADIOCHEMISTRY SYNTHESIS SYSTEM ENERGY, UNITED STATES DEPARTMENT OF 2015-11-19 — — US disclosed
US-8951480-B2 Modular radiochemistry synthesis system THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 — — US disclosed
US-8765933-B2 Asynthesis of β-nucleosides PHARMAESSENTIA CORP. (TW) 2014-07-01 — — US disclosed
US-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES PHARMAESSENTIA CORP. (TW) 2012-10-11 — — US disclosed
US-20120107175-A1 MODULAR RADIOCHEMISTRY SYNTHESIS SYSTEM THE REGENTS OF THE UNIVERISTY OF CALIFORNIA (US) 2012-05-03 — — 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 (3 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-20160130295-A1 MODULAR RADIOCHEMISTRY SYNTHESIS SYSTEM RAD18, MVD, USP18 SORT1 4798/4885CYP1A2 2367/4885CYP3A4 1739/4885
US-20120259106-A1 ASYNTHESIS OF B-NUCLEOSIDES ATIC, DPYD, DUT SORT1 3660/4885CYP1A2 552/4885CYP3A4 1115/4885
US-20150329583-A1 MODULAR RADIOCHEMISTRY SYNTHESIS SYSTEM RAD18, MVD, USP18 SORT1 4798/4885CYP1A2 2367/4885CYP3A4 1739/4885

“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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