SCHEMBL11991544

SCHEMBL11991544

COC(=O)c1cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)c(F)cc1NC1CCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.37
▸ LRRK2 Q5S007 2/20 0.37
▸ PRKCQ Q04759 3/20 0.35
▸ PRKCD Q05655 3/20 0.35
▸ HSP90AA1 P07900 4/20 0.34
▸ BRAF P15056 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ CFTR P13569 1/20 0.33

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
SCHEMBL13947015 0.94 PTK2 (0.38) PTK2LRRK2BRAFKDRCFTR
SCHEMBL11991542 0.93 PRKCQ (0.38) PTK2LRRK2PRKCQPRKCDBRAF
SCHEMBL11922636 0.89 PTK2 (0.39) PTK2LRRK2MAPK14
SCHEMBL13815740 0.87 PRKCQ (0.38) PTK2LRRK2PRKCQPRKCDBRAF
SCHEMBL11922595 0.84 PTK2 (0.34) PTK2LRRK2PIK3CACFTR
SCHEMBL13044755 0.83 CFTR (0.46) PTK2PIK3CACFTR
SCHEMBL11991450 0.82 PTK2 (0.36) PTK2LRRK2HSP90AA1PDE3BPDE3A
SCHEMBL11991528 0.82 PTK2 (0.33) PTK2LRRK2CFTR
SCHEMBL13044750 0.81 PTK2 (0.35) PTK2LRRK2CFTR
SCHEMBL11991478 0.81 PTK2 (0.32) PTK2LRRK2CFTR

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 11 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
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 PTK2 4675/4885LRRK2 3892/4885PRKCQ 2109/4885
US-20120214783-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2B, POLR2H PTK2 4675/4885LRRK2 3892/4885PRKCQ 2109/4885

“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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