SCHEMBL4300793

SCHEMBL4300793

C#Cc1ccc(F)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ4 P56696 3/20 0.45
▸ KCNQ5 Q9NR82 3/20 0.45
▸ BRAF P15056 1/20 0.42
▸ CYP17A1 P05093 1/20 0.41
▸ GABRA1 P14867 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PTPN11 Q06124 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 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
SCHEMBL30931981 0.89 CYP17A1 (0.49) KCNQ4KCNQ5BRAFCYP17A1GABRA1
SCHEMBL10281196 0.87 KCNQ4 (0.50) KCNQ4KCNQ5CYP17A1GABRA1GABRG2
SCHEMBL2134811 0.83 AAK1 (0.44) KCNQ4KCNQ5CYP17A1GABRA1GABRG2
SCHEMBL4310554 0.83 VCP (0.45) CYP17A1RXFP1POLBLMNAPTPN11
SCHEMBL10006019 0.82 KCNQ4 (0.47) KCNQ4KCNQ5CYP17A1GABRA1GABRG2
SCHEMBL4310561 0.82 GABRA5 (0.43) KCNQ4KCNQ5BRAFCYP17A1GABRA1
SCHEMBL15614546 0.81 MAPT (0.51) KCNQ4KCNQ5BRAFCYP17A1RXFP1
SCHEMBL14355613 0.81 PDK1 (0.45) KCNQ4KCNQ5GABRA1GABRG2GABRB3
SCHEMBL13636114 0.80 CYP17A1 (0.44) KCNQ4KCNQ5BRAFCYP17A1RXFP1
SCHEMBL4301168 0.78 AAK1 (0.50) KCNQ4KCNQ5BRAFCYP17A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 — — EP disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
EP-1939204-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2013-01-02 — — EP disclosed
CN-101331134-B Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL 2012-11-28 — — CN disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
CN-101331134-A Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL (JP) 2008-12-24 — — CN disclosed
EP-1939204-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 — — EP 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 KCNQ4 3886/4885KCNQ5 3060/4885BRAF 3672/4885

“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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