SCHEMBL11922595

SCHEMBL11922595

COC(=O)c1cc(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)c(F)cc1NC(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ LRRK2 Q5S007 4/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ IRAK4 Q9NWZ3 3/20 0.31
▸ MAPT P10636 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MAPK10 P53779 1/20 0.31

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
SCHEMBL11922630 0.92 SCN9A (0.33) PTK2LRRK2SCN9AIRAK4CACNA1H
SCHEMBL11991478 0.92 PTK2 (0.32) PTK2CFTRLRRK2SCN9ARIPK1
SCHEMBL13944249 0.91 CFTR (0.33) PTK2CFTRSCN9AALDH1A1HPGD
SCHEMBL11991528 0.91 PTK2 (0.33) PTK2CFTRLRRK2SCN9ARIPK1
SCHEMBL13947015 0.87 PTK2 (0.38) PTK2CFTRLRRK2ALDH1A1HSD17B10
SCHEMBL11991450 0.86 PTK2 (0.36) PTK2CFTRLRRK2SCN9ARIPK1
SCHEMBL11922604 0.86 KMT2A (0.35) CFTRSCN9AALDH1A1HPGDTSHR
SCHEMBL13044755 0.86 CFTR (0.46) PTK2CFTRALDH1A1RIPK1MAPT
SCHEMBL11991544 0.84 PTK2 (0.37) PTK2CFTRLRRK2PIK3CA
SCHEMBL11991498 0.84 PTK2 (0.33) PTK2CFTRLRRK2SCN9A

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 7 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — 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-2009018656-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 (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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B PTK2 4679/4885CFTR 1617/4885LRRK2 4091/4885
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E PTK2 4598/4885CFTR 982/4885LRRK2 4149/4885

“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.

Send feedback