SCHEMBL3072832

SCHEMBL3072832

O=C1Nc2cc(CN3CCCC3)ccc2N2CCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 1.00
CHEK1 O14757 1/20 0.69
MAP2K1 Q02750 1/20 0.69
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 6/20 0.59
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
HPGD P15428 3/20 0.59
GAA P10253 5/20 0.58
HSD17B10 Q99714 3/20 0.55
ALOX15 P16050 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 2/20 0.46

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
SCHEMBL3066732 0.99 PARP1 (0.98) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL3061740 0.97 PARP1 (1.00) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL3067627 0.96 PARP1 (0.98) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL3067717 0.91 PARP1 (0.83) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL3082359 0.90 PARP1 (0.85) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL29223126 0.85 PARP1 (0.73) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL29223266 0.85 PARP1 (0.73) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL30928116 0.84 PARP1 (0.76) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL3066203 0.81 PARP1 (1.00) PARP1CHEK1MAP2K1ALDH1A1KDM4E
SCHEMBL3073571 0.81 PARP1 (1.00) PARP1CHEK1MAP2K1ALDH1A1KDM4E

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 1/4885CHEK1 311/4885MAP2K1 3740/4885

“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.