SCHEMBL6523384

SCHEMBL6523384

COc1ccc(CN2CCc3c(-c4ccc(C#N)cc4)nc4cccc(n34)C2=O)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
EGLN1 Q9GZT9 3/20 0.39
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2D6 P10635 4/20 0.38
TSHR P16473 4/20 0.38
CYP2C19 P33261 4/20 0.38
USP2 O75604 3/20 0.38
CYP2C9 P11712 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CLK4 Q9HAZ1 4/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 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
SCHEMBL3432482 0.92 CYP1A2 (0.39) KCNK3KCNK9CYP1A2CYP3A4ALDH1A1
SCHEMBL6526902 0.88 EGLN1 (0.42) EGLN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL6517680 0.88 EGLN1 (0.39) EGLN1ALDH1A1TSHRHDAC3HDAC4
SCHEMBL3416104 0.80 EGLN1 (0.36) EGLN1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL6523960 0.79 KDM4E (0.35) EGLN1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL6517204 0.75 EGLN1 (0.43) EGLN1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL12787117 0.74 EGLN2 (0.39) KCNK3KCNK9
SCHEMBL6522834 0.70 EGLN1 (0.42) EGLN1TSHRLMNAHDAC3HDAC4
SCHEMBL14367323 0.70 HDAC3 (0.46) EGLN1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL8175549 0.70 HDAC3 (0.45) EGLN1ALDH1A1TSHRMEN1KMT2A

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 2 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

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 KCNK3 3903/4885KCNK9 3944/4885EGLN1 3349/4885

“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.