SCHEMBL11991641

SCHEMBL11991641

COCC(COC)Nc1ccc(Oc2ncc(CCn3nccn3)cc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MET P08581 1/20 0.32
▸ MAPK10 P53779 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ SCN9A Q15858 2/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARD Q03181 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
SCHEMBL11992587 0.93 KMT2A (0.33) KMT2AATMCFTRLMNAMET
SCHEMBL11991524 0.92 KMT2A (0.34) KMT2AATMCFTRLMNAMAPK10
SCHEMBL11991475 0.89 KMT2A (0.33) KMT2AATMCFTRLMNAMET
SCHEMBL11991640 0.87 PTK2 (0.33) CFTRMETSCN9A
SCHEMBL11992926 0.85 KMT2A (0.34) KMT2AATMCFTRLMNAMAPK10
SCHEMBL11922604 0.83 KMT2A (0.35) KMT2AATMCFTRLMNAMAPK10
SCHEMBL11991535 0.82 KMT2A (0.35) KMT2AATMCFTRLMNAMAPK10
SCHEMBL11991472 0.81 KMT2A (0.34) KMT2AATMCFTRLMNAMAPK10
SCHEMBL11991469 0.80 SCN9A (0.43) SCN9AFPR2DRD1
SCHEMBL11991498 0.80 PTK2 (0.33) CFTRMETSCN9A

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-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
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 KMT2A 1862/4885ATM 4155/4885CFTR 1031/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H KMT2A 1862/4885ATM 4155/4885CFTR 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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