SCHEMBL13044752

SCHEMBL13044752

COC(=O)c1cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)c(F)cc1C(C(=O)[C@H]1CC[C@H](C)CC1)C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.33
▸ OPRK1 P41145 2/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ RIPK1 Q13546 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
SCHEMBL13044754 0.93 MDM2 (0.34) MDM2
SCHEMBL13947012 0.84 PTK2 (0.32) PTK2
SCHEMBL13044705 0.82 PTK2 (0.32) PTK2SCN9A
SCHEMBL13947015 0.81 PTK2 (0.38) PTK2OPRK1RIPK1
SCHEMBL13044750 0.79 PTK2 (0.35) PTK2RIPK1
SCHEMBL13044788 0.78 PTK2 (0.32) PTK2OPRK1SCN9ARIPK1
SCHEMBL11992838 0.78 MDM2 (0.30) MDM2
SCHEMBL11922595 0.77 PTK2 (0.34) PTK2SCN9ARIPK1
SCHEMBL13044755 0.77 CFTR (0.46) PTK2RIPK1
SCHEMBL13044741 0.77 MDM2 (0.32) SCN9AMDM2

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 2 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

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 4679/4885OPRK1 1495/4885SCN9A 1852/4885

“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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