SCHEMBL11991551

SCHEMBL11991551

COC[C@H](C)Nc1c(F)cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ RIPK1 Q13546 2/20 0.30
▸ 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
SCHEMBL11992631 0.88 SCN9A (0.32) SCN9A
SCHEMBL11992926 0.86 KMT2A (0.34) SCN9ACFTRAAK1KMT2AATM
SCHEMBL11991478 0.85 PTK2 (0.32) SCN9AMAPK1CFTRRIPK1
SCHEMBL11992979 0.82 DHODH (0.35) SCN9AAAK1
SCHEMBL11991524 0.81 KMT2A (0.34) SCN9ACFTRAAK1KMT2AATM
SCHEMBL11922604 0.79 KMT2A (0.35) SCN9ACFTRAAK1KMT2AATM
SCHEMBL11991556 0.79 AAK1 (0.32) MAPK1AAK1
SCHEMBL11991472 0.79 KMT2A (0.34) SCN9ACFTRAAK1KMT2AATM
SCHEMBL11991528 0.79 PTK2 (0.33) SCN9ACFTRRIPK1
SCHEMBL11992587 0.79 KMT2A (0.33) SCN9ACFTRAAK1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 — — US disclosed
US-8912182-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-16 — — US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 — — US disclosed
US-8541402-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-24 — — US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 — — US disclosed
US-8476257-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-02 — — US disclosed
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
WO-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — 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-20110021486-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H SCN9A 2294/4885MAPK1 2611/4885CFTR 1031/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H SCN9A 2294/4885MAPK1 2611/4885CFTR 1031/4885

“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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