SCHEMBL3016588

SCHEMBL3016588

CC1(Cc2cncnc2)C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ PIK3CD O00329 9/20 0.47
▸ PAX8 Q06710 1/20 0.44
▸ PIK3R1 P27986 1/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ OTUD7B Q6GQQ9 1/20 0.41

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
SCHEMBL3016425 0.89 PGR (0.49) PGREPHX2PIK3CDPIK3R1HDAC1
SCHEMBL3019951 0.86 PGR (0.58) PGREPHX2PIK3CDPIK3R1
SCHEMBL1951320 0.86 OTUD7B (0.39) EPHX2OTUD7B
SCHEMBL1849671 0.82 GRIN1 (0.39) OTUD7B
SCHEMBL3020687 0.81 PGR (0.76) PGREPHX2PIK3CDPIK3R1
SCHEMBL3023025 0.80 EPHX2 (0.53) PGREPHX2PIK3CDPIK3R1HDAC1
SCHEMBL8066741 0.79 PGR (0.53) PGREPHX2PIK3CDPIK3R1HDAC1
SCHEMBL3009310 0.79 PGR (0.48) PGREPHX2PIK3CDPIK3R1HDAC1
SCHEMBL2805793 0.78 GRIN1 (0.38) PIK3CDOTUD7B
SCHEMBL8052840 0.76 PGR (0.55) PGREPHX2PIK3CDPIK3R1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US claimed
EP-2205079-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP claimed
WO-2009045381-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US disclosed
US-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS DUFFY JOSEPH L 2010-08-12 — — US 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-20100204247-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1D, TRPV1 PGR 4426/4885EPHX2 2620/4885PIK3CD 3068/4885

“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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