SCHEMBL5953031

SCHEMBL5953031

CSc1cc(-c2nc3cc(F)ccc3n2COCC[Si](C)(C)C)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.36
DGAT1 O75907 2/20 0.33
HRH3 Q9Y5N1 3/20 0.33
PTGER4 P35408 1/20 0.32
KCNK13 Q9HB14 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CYP3A4 P08684 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
TBXA2R P21731 2/20 0.31
HDAC8 Q9BY41 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
SCHEMBL5953451 0.87 CNR2 (0.36) DGAT1PIK3CBPTGDR2
SCHEMBL5953460 0.85 MAPT (0.33) TSHRHTT
SCHEMBL6279180 0.82 DCTPP1 (0.32)
SCHEMBL5953233 0.79 NPC1 (0.34) NPC1
SCHEMBL5952906 0.78 TDP1 (0.43) RPS6KA5PTGER4CYP3A4NPC1TSHR
SCHEMBL5953205 0.76 LMNA (0.32)
SCHEMBL5953298 0.73 KMT2A (0.39) CYP3A4NPC1
SCHEMBL23497836 0.73 TBXA2R (0.39) RPS6KA5DGAT1KCNK13PIK3CDPIK3CB
SCHEMBL5952648 0.73 SOS1 (0.31)
SCHEMBL5952243 0.72 MEN1 (0.38) NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 RPS6KA5 464/4885DGAT1 4531/4885HRH3 3087/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RPS6KA5 524/4885DGAT1 4380/4885HRH3 3362/4885

“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.