SCHEMBL3430279

SCHEMBL3430279

COC(=O)c1cccc2nc(-c3ccc(C#N)cc3)c(Br)n12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 6/20 0.42
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ KCNK3 O14649 4/20 0.39
▸ KCNK9 Q9NPC2 4/20 0.39
▸ AR P10275 1/20 0.38
▸ PLAU P00749 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ PRNP P04156 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ TRPA1 O75762 1/20 0.34

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
SCHEMBL6520703 0.84 ALDH1A1 (0.41) EGLN2CYP11B1CYP11B2KCNK3KCNK9
SCHEMBL6516038 0.82 KCNK3 (0.42) EGLN2CYP11B1CYP11B2KCNK3KCNK9
SCHEMBL6526882 0.79 CYP11B1 (0.38) EGLN2CYP11B1CYP11B2KCNK3KCNK9
SCHEMBL6526885 0.79 CYP11B1 (0.38) EGLN2CYP11B1CYP11B2KCNK3KCNK9
SCHEMBL6521271 0.74 EGLN2 (0.46) EGLN2CYP11B1CYP11B2AR
SCHEMBL24510463 0.68 TRPA1 (0.43) EGLN2TRPA1
SCHEMBL30558741 0.68 TRPA1 (0.43) EGLN2TRPA1
SCHEMBL18203556 0.67 RAB9A (0.51) KCNK3KCNK9PRNP
SCHEMBL25415556 0.65 HSD17B10 (0.42) —
SCHEMBL3827058 0.64 ALDH1A1 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 — — US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 — — US disclosed
EP-2265611-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-12-29 — — EP disclosed
WO-2009112832-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-09-17 — — 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 EGLN2 3445/4885CYP11B1 2573/4885CYP11B2 3175/4885

“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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