SCHEMBL987844

SCHEMBL987844

CC(C)(C)C(=O)OCc1nc2cc3c(cc2c(=O)[nH]1)[C@@H](Nc1ccc(C(=O)O)cc1)CC3

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
KDM4E B2RXH2 3/20 0.37
RECQL P46063 1/20 0.37
TNKS O95271 3/20 0.36
TNKS2 Q9H2K2 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
PARP14 Q460N5 1/20 0.33
PDE5A O76074 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL987842 1.00 PARP1 (0.39) PARP1KDM4ERECQLTNKSTNKS2
SCHEMBL988879 0.91 MAPT (0.37) PARP1KDM4ETNKSTNKS2ALDH1A1
SCHEMBL988880 0.91 MAPT (0.37) PARP1KDM4ETNKSTNKS2ALDH1A1
SCHEMBL1038155 0.89 PARP1 (0.40) PARP1KDM4ERECQLTNKSTNKS2
SCHEMBL1343569 0.89 PARP1 (0.40) PARP1KDM4ERECQLTNKSTNKS2
SCHEMBL1544255 0.89 PARP1 (0.40) PARP1KDM4ERECQLTNKSTNKS2
SCHEMBL3674777 0.85 KDM4E (0.43) PARP1KDM4ERECQLTNKSTNKS2
SCHEMBL3674775 0.85 KDM4E (0.43) PARP1KDM4ERECQLTNKSTNKS2
SCHEMBL2320352 0.84 PARP1 (0.42) PARP1KDM4ERECQLTNKSTNKS2
SCHEMBL2320356 0.84 PARP1 (0.42) PARP1KDM4ERECQLTNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213664-B1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG INT LTD (GB) 2014-04-30 EP disclosed
US-8486955-B2 Anti-cancer cyclopenta [g] quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2013-07-16 US disclosed
US-8063056-B2 Anti-cancer cyclopenta [g]quinazonline compounds BTG INTERNATIONAL LIMITED (GB) 2011-11-22 US disclosed
EP-1420809-B1 USE OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES FOR TREATING CANCER BTG INT LTD (GB) 2011-09-28 EP disclosed
EP-2332962-A1 Cyclopenta[g]quinazoline compounds for use in the treatment of inflammatory or allergic conditions BTG International Limited (GB) 2011-06-15 EP disclosed
EP-2311850-A1 Anti-cancer cyclopenta[g]quinazoline compounds BTG International Limited (GB) 2011-04-20 EP disclosed
US-7863284-B2 Anti-cancer cyclopenta[G]quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2011-01-04 US disclosed
EP-1421105-B1 ANTI-CANCER CYCLOPENTA¬G QUINAZOLINE COMPOUNDS BTG INT LTD (GB) 2010-10-06 EP disclosed
US-20100216824-A1 Anti-cancer cyclopenta [G]quinazonline compounds BTG INTERNATIONAL LIMITED (GB) 2010-08-26 US disclosed
EP-2213664-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG International Limited (GB) 2010-08-04 EP disclosed
US-7705006-B2 Anti-cancer cyclopenta[g]quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2010-04-27 US disclosed
US-20100056551-A1 Anti-cancer cyclopenta [G] quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2010-03-04 US disclosed
US-7528141-B2 Use of cyclopenta[g]quinazoline derivatives for treating cancer BTG INTERNATIONAL LIMITED (GB) 2009-05-05 US disclosed
US-20090023760-A1 Anti-cancer cyclopenta[G]quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2009-01-22 US disclosed
US-20080015206-A1 Anti-cancer cyclopenta[G]quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2008-01-17 US disclosed
US-7297701-B2 Anti-cancer cyclopenta [G]quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2007-11-20 US disclosed
US-7250511-B2 Process for the preparation of cyclopenta[g]quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 2007-07-31 US disclosed
US-20050009851-A1 Use of cyclopeta[g]quinazoline derivatives for treating cancer BTG INTERNATIONAL LIMITED (GB) 2005-01-13 US disclosed
US-20040266798-A1 Process for the preparation of cyclopenta[g]quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 2004-12-30 US disclosed
US-20040242606-A1 Anti-cancer cyclopenta (g)quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2004-12-02 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 (7 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-20100056551-A1 Anti-cancer cyclopenta [G] quinazoline compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR0B1, CNR1 PARP1 342/4885KDM4E 2730/4885RECQL 219/4885
US-20040266798-A1 Process for the preparation of cyclopenta[g]quinazoline derivatives COX6A1, MT-ND6, CYP2D6 PARP1 745/4885KDM4E 2594/4885RECQL 253/4885
US-20040242606-A1 Anti-cancer cyclopenta (g)quinazoline compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, NR4A1 PARP1 137/4885KDM4E 1184/4885RECQL 543/4885
US-20050009851-A1 Use of cyclopeta[g]quinazoline derivatives for treating cancer CNR1, NR3C1, NR0B1 PARP1 1111/4885KDM4E 4184/4885RECQL 633/4885
US-20080015206-A1 Anti-cancer cyclopenta[G]quinazoline compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR0B1, CNR1 PARP1 510/4885KDM4E 2786/4885RECQL 340/4885
US-20100216824-A1 Anti-cancer cyclopenta [G]quinazonline compounds NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR1 PARP1 608/4885KDM4E 2768/4885RECQL 451/4885
US-20090023760-A1 Anti-cancer cyclopenta[G]quinazoline compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR0B1, CNR1 PARP1 467/4885KDM4E 2768/4885RECQL 189/4885

“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.