SCHEMBL11922635

SCHEMBL11922635

COC(=O)c1cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)c(F)cc1N(C(=O)c1ccc(Cl)cn1)[C@@H]1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ PTK2 Q05397 3/20 0.32
▸ LRRK2 Q5S007 2/20 0.32
▸ RIPK1 Q13546 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 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
SCHEMBL11922638 0.94 NPC1 (0.33) NPC1GRM4
SCHEMBL11922596 0.84 SCN9A (0.33) RIPK1
SCHEMBL11922636 0.78 PTK2 (0.39) PTK2LRRK2
SCHEMBL11922602 0.78 SCN9A (0.32) —
SCHEMBL11922632 0.77 RIPK1 (0.35) PTK2LRRK2RIPK1
SCHEMBL11991541 0.76 PTK2 (0.33) PTK2LRRK2RIPK1
SCHEMBL11991502 0.76 SCN9A (0.30) —
SCHEMBL13947012 0.76 PTK2 (0.32) PTK2
SCHEMBL11991482 0.76 SCN9A (0.32) —
SCHEMBL13044755 0.75 CFTR (0.46) PTK2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US disclosed
WO-2009018657-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — 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 (1 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-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E NPC1 1299/4885GRM4 4769/4885CNR2 4167/4885

“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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