SCHEMBL8072073

SCHEMBL8072073

O=C1NCc2ccccc2-n2cccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.58
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 3/20 0.37
AURKA O14965 1/20 0.37
ADK P55263 1/20 0.37
SRD5A1 P18405 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TYRO3 Q06418 1/20 0.35
NTRK2 Q16620 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL14397969 0.77 PARP1 (0.47) PARP1CA12CA9CLK4DYRK1B
SCHEMBL3062825 0.75 PARP1 (0.65) PARP1
SCHEMBL3062499 0.73 PARP1 (1.00) PARP1SMN1; SMN2
SCHEMBL3068011 0.72 PARP1 (0.98) PARP1SMN1; SMN2
SCHEMBL25634879 0.72 TSHR (0.40) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1
SCHEMBL3073563 0.72 PARP1 (0.67) PARP1
SCHEMBL3068611 0.72 PARP1 (0.83) PARP1LMNA
SCHEMBL13034587 0.70 PARP1 (0.45) PARP1CA12CA9
SCHEMBL18839261 0.69 PARP1 (0.41) PARP1KMT2AADKSRD5A1
SCHEMBL3458513 0.67 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPK1L3MBTL1MEN1

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
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
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US 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
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 1/4885CA12 3864/4885CA9 4134/4885

“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.