SCHEMBL11991556

SCHEMBL11991556

COC[C@H](C)Nc1ccc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)c(F)c1C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90B1 P14625 1/20 0.31
▸ HCAR3 P49019 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ MET P08581 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ CACNA1H O95180 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
SCHEMBL11992949 0.88 CDK1 (0.32) —
SCHEMBL12945983 0.86 CDK1 (0.32) —
SCHEMBL11992926 0.85 KMT2A (0.34) AAK1HCAR3
SCHEMBL11991478 0.85 PTK2 (0.32) MAPK1METAXLTYRO3MERTK
SCHEMBL11992979 0.82 DHODH (0.35) AAK1HCAR3CYP3A4
SCHEMBL12945948 0.80 EGLN1 (0.34) —
SCHEMBL11991551 0.79 SCN9A (0.33) AAK1MAPK1
SCHEMBL11991524 0.77 KMT2A (0.34) AAK1
SCHEMBL11991472 0.77 KMT2A (0.34) AAK1
SCHEMBL11991528 0.77 PTK2 (0.33) METAXLTYRO3MERTKCACNA1H

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 AAK1 2892/4885MAPK1 2611/4885HSP90AA1 2059/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H AAK1 2892/4885MAPK1 2611/4885HSP90AA1 2059/4885

“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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