SCHEMBL12763892

SCHEMBL12763892

C=Cc1cnc(Oc2ccc(N(C(=O)[C@H]3CC[C@H](C)CC3)C(C)C)c(C(=O)OC)c2)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.33
▸ BRAF P15056 9/20 0.33
▸ SCN9A Q15858 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ULK1 O75385 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ SCN5A Q14524 1/20 0.30

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
SCHEMBL12763888 0.93 KDR (0.34) KDRBRAFSCN9AKMT2AATM
SCHEMBL11991491 0.93 ABL1 (0.32) KDRBRAF
SCHEMBL12763883 0.89 KDR (0.34) KDRBRAFSCN9AKMT2AATM
SCHEMBL12763872 0.88 KDR (0.34) KDRBRAFSCN9AKMT2AATM
SCHEMBL12763836 0.88 KDR (0.34) KDRBRAFSCN9AKMT2AATM
SCHEMBL12763885 0.88 KDR (0.33) KDRBRAFSCN9A
SCHEMBL12763887 0.88 KDR (0.34) KDRBRAFSCN9AKMT2AATM
SCHEMBL13044819 0.88 PTK2 (0.34) KDRSCN9A
SCHEMBL12763879 0.88 KDR (0.34) KDRBRAFSCN9AKMT2AATM
SCHEMBL12763884 0.87 SMN1; SMN2 (0.35) KDRBRAFSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
WO-2008019477-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — US 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E KDR 3485/4885BRAF 2617/4885SCN9A 2265/4885

“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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