SCHEMBL13044705

SCHEMBL13044705

COC(=O)c1cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)c(F)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 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
SCHEMBL13044788 0.94 PTK2 (0.32) PTK2SCN9A
SCHEMBL13044800 0.93 PTK2 (0.33) PTK2SCN9A
SCHEMBL13044741 0.93 MDM2 (0.32) SCN9A
SCHEMBL13044862 0.90 OPRK1 (0.31) —
SCHEMBL13947332 0.90 — —
SCHEMBL13044756 0.90 SCN9A (0.34) PTK2SCN9A
SCHEMBL13947012 0.89 PTK2 (0.32) PTK2HCRTR1HCRTR2
SCHEMBL13044859 0.89 SCN9A (0.33) SCN9AHCRTR1HCRTR2
SCHEMBL13044704 0.89 SCN9A (0.35) PTK2SCN9A
SCHEMBL13044742 0.89 SCN9A (0.35) PTK2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B PTK2 4679/4885SCN9A 1852/4885HCRTR1 3493/4885

“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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