SCHEMBL2148593

SCHEMBL2148593

C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.43
CYP3A4 P08684 10/20 0.43
CYP2C19 P33261 6/20 0.43
CYP2D6 P10635 6/20 0.43
LMNA P02545 6/20 0.43
CLK4 Q9HAZ1 4/20 0.43
USP2 O75604 4/20 0.43
MAPK1 P28482 4/20 0.43
CYP2C9 P11712 4/20 0.43
TSHR P16473 5/20 0.40
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 2/20 0.40
APEX1 P27695 1/20 0.40
CASP7 P55210 1/20 0.40
HTT P42858 1/20 0.39
FYN P06241 1/20 0.39
MAPK14 Q16539 1/20 0.39
KIF11 P52732 1/20 0.39
BRD4 O60885 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL16497609 0.92 KDM4E (0.40) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL14690033 0.87 DRD2 (0.38) MAPK14MAPTMEN1KMT2AGAA
SCHEMBL2148279 0.85 PIN1 (0.41) MAPK1MAPK14MAPTMEN1KMT2A
SCHEMBL16497634 0.83 ALOX5 (0.42) CYP3A4CYP2C19CYP2D6LMNACYP2C9
SCHEMBL2145931 0.82 TEK (0.39) CYP3A4MAPK14NPC1MAPTMEN1
SCHEMBL14690185 0.82 MAPK14 (0.41) MAPK14NPC1MAPTMEN1KMT2A
SCHEMBL16511450 0.82 MEN1 (0.36) ALDH1A1MAPK14MAPTHSD17B10KDM4E
SCHEMBL14701090 0.81 MAPK14 (0.43) MAPK14MEN1KMT2AGAA
SCHEMBL16510872 0.80 MEN1 (0.38) CYP3A4CYP2C19CYP2D6LMNACYP2C9
SCHEMBL14701092 0.80 PDE4D (0.42) CYP1A2CYP3A4CYP2C19LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF CYP1A2 4229/4885CYP3A4 4360/4885CYP2C19 3947/4885

“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.