SCHEMBL11922580

SCHEMBL11922580

COC(=O)c1cc(Oc2ncc(CN3CCOCC3)cc2C(F)(F)F)ccc1NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ HIF1A Q16665 2/20 0.39
▸ EPAS1 Q99814 2/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ WDR5 P61964 2/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ BDKRB1 P46663 1/20 0.36
▸ FAAH O00519 1/20 0.36

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
SCHEMBL11922576 0.87 HIF1A (0.41) KDRFGFR1LRRK2HIF1AEPAS1
SCHEMBL11922604 0.85 KMT2A (0.35) KCNH2TSHRHCRTR1HCRTR2KDM4E
SCHEMBL11922588 0.84 TDP1 (0.41) KDRFGFR1LRRK2HIF1AEPAS1
SCHEMBL11991506 0.81 ALDH1A1 (0.35) KDRHIF1AFAAH
SCHEMBL11922620 0.79 KMT2A (0.36) KDRKDM4E
SCHEMBL11991472 0.78 KMT2A (0.34) KCNH2IRAK4KDM4E
SCHEMBL11992926 0.77 KMT2A (0.34) KCNH2KDM4E
SCHEMBL11991524 0.76 KMT2A (0.34) KCNH2KDM4E
SCHEMBL11922572 0.75 FPR2 (0.48) —
SCHEMBL12763918 0.75 KDM4E (0.41) KDM4E

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 KDR 3485/4885FGFR1 3121/4885LRRK2 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.

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