SCHEMBL3068611

SCHEMBL3068611

CN1CCN(Cc2ccc3c(c2)CNC(=O)c2cccn2-3)CC1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.83
ACHE P22303 1/20 0.43
CHKA P35790 3/20 0.40
MC4R P32245 1/20 0.40
PIM1 P11309 1/20 0.38
CSNK1D P48730 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
IDO2 Q6ZQW0 2/20 0.38
TNKS O95271 1/20 0.38
MCHR1 Q99705 1/20 0.37
KDR P35968 1/20 0.37
BTK Q06187 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
SCHEMBL3062499 0.91 PARP1 (1.00) PARP1ACHE
SCHEMBL3068011 0.90 PARP1 (0.98) PARP1ACHE
SCHEMBL3079474 0.82 PARP1 (1.00) PARP1IDO1TDO2IDO2MCHR1
SCHEMBL3072839 0.75 PARP1 (0.72) PARP1ACHEMCHR1KDR
SCHEMBL3072464 0.73 PARP1 (0.63) PARP1KDR
SCHEMBL8072073 0.72 PARP1 (0.58) PARP1LMNA
SCHEMBL1206911 0.66 LMNA (0.53) CHKAMC4RLMNAKDR
SCHEMBL14615038 0.66 CHKA (0.57) CHKAMC4RLMNA
Hydrochloric Acid SCHEMBL1072383 0.65 LMNA (0.51) CHKAMC4RLMNAKDR
Hydrochloric Acid SCHEMBL30301725 0.65 LMNA (0.51) CHKAMC4RLMNAKDR

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
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885ACHE 3380/4885CHKA 2261/4885

“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.