SCHEMBL417650

SCHEMBL417650

O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(-c3ccc(F)c(Cl)c3)o2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
PDE4B Q07343 1/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 3/20 0.38
BRAF P15056 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
NTRK1 P04629 4/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
P2RX7 Q99572 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CHRM1 P11229 1/20 0.34

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
SCHEMBL416921 0.94 PDE4B (0.40) HSP90AA1PDE4BRAB9AGAASMN1; SMN2
SCHEMBL419600 0.92 PDE4B (0.44) HSP90AA1PDE4BRAB9AGAASMN1; SMN2
SCHEMBL417594 0.91 PDE4B (0.38) HSP90AA1PDE4BRAB9AGAASMN1; SMN2
SCHEMBL421281 0.91 PDE4B (0.41) HSP90AA1PDE4BRAB9AGAASMN1; SMN2
SCHEMBL420239 0.91 PDE4B (0.37) PDE4BRAB9ABRAFP2RX7CHRM1
SCHEMBL418626 0.90 PDE4B (0.41) HSP90AA1PDE4BRAB9AGAASMN1; SMN2
SCHEMBL418233 0.89 HSP90AA1 (0.40) HSP90AA1RAB9AGAASMN1; SMN2PARP1
SCHEMBL418318 0.89 PDE4B (0.41) HSP90AA1PDE4BRAB9AGAASMN1; SMN2
SCHEMBL455596 0.89 PDE4B (0.37) HSP90AA1PDE4BRAB9AGAASMN1; SMN2
SCHEMBL421270 0.88 PDE4B (0.40) HSP90AA1PDE4BRAB9AGAASMN1; SMN2

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-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
EP-2376479-B1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2016-03-02 EP disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-8324268-B2 Substituted furancarboxamides, and use thereof AICURIS GMBH & CO. KG (DE) 2012-12-04 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
US-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2012-01-26 US disclosed
EP-2376479-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AiCuris GmbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed
WO-2010075957-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 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-20120022059-A1 SUBSTITUTED FURANCARBOXAMIDES, AND USE THEREOF AADAC, DDC, TPMT HSP90AA1 4337/4885PDE4B 1900/4885RAB9A 4238/4885

“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.