SCHEMBL11922596

SCHEMBL11922596

COC(=O)c1cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)c(F)cc1N(C(=O)c1ccc(Cl)cn1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ SCN5A Q14524 1/20 0.31
▸ RIPK1 Q13546 3/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ P2RX3 P56373 4/20 0.31
▸ CFTR P13569 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL11922602 0.93 SCN9A (0.32) SCN9AMRGPRX4GPBAR1P2RX3
SCHEMBL11922611 0.90 SCN9A (0.35) SCN9ATGFBR1MRGPRX4SCN5AKDM4E
SCHEMBL11922612 0.90 SCN9A (0.35) SCN9ATGFBR1MRGPRX4SCN5AKDM4E
SCHEMBL11991482 0.87 SCN9A (0.32) SCN9AGPBAR1
SCHEMBL11991502 0.86 SCN9A (0.30) SCN9AMRGPRX4
SCHEMBL11922613 0.86 SCN9A (0.35) SCN9ATGFBR1MRGPRX4SCN5AGPBAR1
SCHEMBL11922628 0.85 SCN9A (0.36) SCN9ATGFBR1MRGPRX4P2RX3CFTR
SCHEMBL11922631 0.84 GRM2 (0.30) —
SCHEMBL11922635 0.84 NPC1 (0.34) RIPK1
SCHEMBL11922615 0.83 SCN9A (0.34) SCN9AMRGPRX4KDM4EALDH1A1POLB

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 SCN9A 2265/4885TGFBR1 2800/4885MRGPRX4 2725/4885

“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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