SCHEMBL11922630

SCHEMBL11922630

CC(C)Nc1cc(F)c(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ CACNA1H O95180 1/20 0.31
▸ ASPH Q12797 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RIOX2 Q8IUF8 1/20 0.31
▸ KDM8 Q8N371 1/20 0.31
▸ LRRK2 Q5S007 3/20 0.31
▸ SYK P43405 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ PTK2 Q05397 1/20 0.30
▸ NTRK1 P04629 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
SCHEMBL11922595 0.92 PTK2 (0.34) SCN9AIRAK4CACNA1HKDM4ELRRK2
SCHEMBL11991478 0.84 PTK2 (0.32) SCN9ACACNA1HLRRK2PTK2
SCHEMBL13944249 0.83 CFTR (0.33) SCN9AIRAK4KDM4EPTK2
SCHEMBL11991528 0.83 PTK2 (0.33) SCN9ACACNA1HLRRK2PTK2
SCHEMBL13815740 0.82 PRKCQ (0.38) IRAK4LRRK2DHODHPTK2
SCHEMBL11991470 0.79 DHODH (0.34) SCN9AIRAK4ASPHKDM4ERIOX2
SCHEMBL13044755 0.79 CFTR (0.46) KDM4EROCK2PTK2
SCHEMBL13947015 0.79 PTK2 (0.38) IRAK4KDM4ELRRK2PTK2
SCHEMBL13044786 0.79 MDM2 (0.32) SCN9A
SCHEMBL11991450 0.79 PTK2 (0.36) SCN9AHSP90AA1LRRK2PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
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
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
WO-2009018657-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO 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 (2 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 SCN9A 1852/4885S1PR1 1502/4885HSP90AA1 2210/4885
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E SCN9A 2265/4885S1PR1 1688/4885HSP90AA1 2353/4885

“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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