SCHEMBL5951634

SCHEMBL5951634

CC(=O)c1nc2cc(C(F)(F)F)ccc2n1COCC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
CNR2 P34972 4/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 2/20 0.37
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACACB O00763 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 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
SCHEMBL5952204 0.86 NPC1 (0.42) PTGDR2KDM4ENPC1HSD17B10POLB
SCHEMBL32680305 0.84 CNR2 (0.37) PTGDR2KDM4ETDP1NPC1CNR2
SCHEMBL5953130 0.82 TDP1 (0.44) KDM4ETDP1NPC1HSD17B10POLB
SCHEMBL2420158 0.82 CNR2 (0.47) KDM4ETDP1NPC1CNR2MEN1
SCHEMBL5953265 0.80 KDM4E (0.55) KDM4ENPC1HSD17B10POLB
SCHEMBL5952355 0.79 MAPT (0.40) KDM4ETDP1NPC1MEN1KMT2A
SCHEMBL17933575 0.78 CNR2 (0.41) KDM4ETDP1CNR2MEN1KMT2A
SCHEMBL9286990 0.77 CNR2 (0.47) CNR2MEN1KMT2A
SCHEMBL32680260 0.77 PDE2A (0.36) KDM4ETDP1NPC1CNR2MEN1
SCHEMBL9288726 0.76 CNR2 (0.39) KDM4ETDP1NPC1CNR2MEN1

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 PTGDR2 1906/4885KDM4E 522/4885TDP1 2680/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PTGDR2 2138/4885KDM4E 645/4885TDP1 1498/4885

“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.