SCHEMBL11922576

SCHEMBL11922576

COC(=O)c1cc(Oc2ncc(CN3CCOCC3)cc2C(F)(F)F)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.41
▸ EPAS1 Q99814 2/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ KDR P35968 3/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ TBK1 Q9UHD2 2/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ IKBKE Q14164 1/20 0.38
▸ BDKRB1 P46663 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ GCK P35557 1/20 0.37

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
SCHEMBL11922588 0.87 TDP1 (0.41) HIF1AEPAS1RAF1KDRFGFR1
SCHEMBL11922580 0.87 KDR (0.41) HIF1AEPAS1RAF1KDRFGFR1
SCHEMBL11922603 0.84 CFTR (0.46) RAF1CFTR
SCHEMBL2774659 0.76 ALDH1A1 (0.59) HIF1AEPAS1HCRTR1HCRTR2MAPK1
Hydrochloric Acid SCHEMBL2769406 0.75 ALDH1A1 (0.58) HIF1AEPAS1HCRTR1HCRTR2MAPK1
SCHEMBL12303342 0.75 GRM2 (0.39) CNR2
SCHEMBL1645946 0.74 HCRTR1 (0.48) HIF1AEPAS1TBK1HCRTR1HCRTR2
SCHEMBL12303340 0.73 HDAC3 (0.41) —
SCHEMBL11922573 0.73 CFTR (0.51) CFTR
SCHEMBL11922578 0.72 HIF1A (0.37) HIF1AEPAS1RAF1KDRFGFR1

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 HIF1A 3049/4885EPAS1 2831/4885RAF1 1637/4885

“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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