SCHEMBL2446217

SCHEMBL2446217

C[C@H]1C[C@@H](c2nc3cc(-c4ccc(C#C[Si](C)(C)C)cc4)ccc3[nH]2)N(C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.34
USP30 Q70CQ3 5/20 0.34
KCNH2 Q12809 2/20 0.33
CYP2C9 P11712 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
PRMT5 O14744 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
SCHEMBL14849166 0.88 GABRG2 (0.38) USP30KCNH2CYP2C9AAK1HCRTR1
SCHEMBL14841275 0.84 KMT2A (0.38) HTR2BUSP30KCNH2CYP2C9AAK1
SCHEMBL14655245 0.84 KMT2A (0.38) HTR2BUSP30KCNH2CYP2C9AAK1
SCHEMBL14655330 0.80 LIPG (0.37) HTR2BUSP30KCNH2CYP2C9AAK1
SCHEMBL2450986 0.79 CYP2C9 (0.32) USP30KCNH2CYP2C9
SCHEMBL2482611 0.79
SCHEMBL2453490 0.78 KCNH2 (0.35) HTR2BKCNH2CYP2C9HCRTR1HCRTR2
SCHEMBL2451189 0.78 KCNH2 (0.35) HTR2BKCNH2CYP2C9HCRTR1HCRTR2
SCHEMBL14655207 0.78 KCNH2 (0.35) HTR2BKCNH2CYP2C9HCRTR1HCRTR2
SCHEMBL14776755 0.76 GRM5 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2550267-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 EP disclosed
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 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-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP HTR2B 1571/4885USP30 3770/4885KCNH2 2848/4885

“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.