SCHEMBL11991528

SCHEMBL11991528

COCC(COC)Nc1cc(F)c(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CFTR P13569 1/20 0.32
▸ LRRK2 Q5S007 7/20 0.32
▸ MET P08581 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ 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
SCHEMBL11991478 0.93 PTK2 (0.32) PTK2SCN9ACFTRLRRK2MET
SCHEMBL11991640 0.92 PTK2 (0.33) PTK2SCN9ACFTRLRRK2MET
SCHEMBL11922595 0.91 PTK2 (0.34) PTK2SCN9ACFTRLRRK2CACNA1H
SCHEMBL11991450 0.88 PTK2 (0.36) PTK2SCN9ACFTRLRRK2RIPK1
SCHEMBL11991524 0.87 KMT2A (0.34) SCN9ACFTRRIPK1
SCHEMBL11991498 0.85 PTK2 (0.33) PTK2SCN9ACFTRLRRK2MET
SCHEMBL13044755 0.84 CFTR (0.46) PTK2CFTRMAPTRIPK1
SCHEMBL11922630 0.83 SCN9A (0.33) PTK2SCN9ALRRK2CACNA1H
SCHEMBL13947015 0.83 PTK2 (0.38) PTK2CFTRLRRK2RIPK1
SCHEMBL11991644 0.83 ALDH1A1 (0.35) PTK2SCN9ALRRK2AXLMERTK

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 10 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-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
US-20110021486-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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 (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 PTK2 4675/4885SCN9A 2294/4885CFTR 1031/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H PTK2 4675/4885SCN9A 2294/4885CFTR 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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