SCHEMBL989131

SCHEMBL989131

C#CCN(c1ccc(C(=O)O)cc1)C1CCc2cc3nc(COC(=O)C(C)(C)C)[nH]c(=O)c3cc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL989132 1.00 DHFR (0.36) DHFRTNKSPARP1TNKS2KDM4E
SCHEMBL3219438 0.92 MEN1 (0.34) DHFR
SCHEMBL990715 0.92 MEN1 (0.34) DHFR
SCHEMBL990714 0.92 MEN1 (0.34) DHFR
SCHEMBL988272 0.90 DHFR (0.37) DHFRKDM4ERECQL
SCHEMBL988271 0.90 DHFR (0.37) DHFRKDM4ERECQL
SCHEMBL13255227 0.88 DHFR (0.38) DHFRKDM4ERECQL
Trifluoroacetic Acid SCHEMBL987068 0.88 DHFR (0.38) DHFR
SCHEMBL13255001 0.87 DHFR (0.40) DHFR
SCHEMBL988539 0.87 TYMS (0.39) DHFRKDM4ERECQL

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458188-B2 Efficient peptide couplings and their use in the synthesis and isolation of a cyclopenta (G) quinazoline trisodium salt BTG INTERNATIONAL LIMITED (GB) 2016-10-04 US disclosed
US-9458188-B2 Efficient peptide couplings and their use in the synthesis and isolation of a cyclopenta (G) quinazoline trisodium salt BTG INTERNATIONAL LIMITED (GB) 2016-10-04 US disclosed
EP-2213664-B1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG INT LTD (GB) 2014-04-30 EP disclosed
US-8552016-B2 Anti-cancer cyclopenta(g)quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2013-10-08 US 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-1421069-B1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG INT LTD (GB) 2011-08-10 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-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
EP-1421105-A1 ANTI-CANCER CYCLOPENTA[G]QUINAZOLINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2004-05-26 EP disclosed
EP-1420809-A1 USE OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES FOR TREATING CANCER BTG International Limited (GB) 2004-05-26 EP disclosed
EP-1421069-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG International Limited (GB) 2004-05-26 EP disclosed
WO-2003020748-A1 ANTI-CANCER CYCLOPENTA[G]QUINAZOLINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2003-03-13 WO disclosed
WO-2003020300-A1 USE OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES FOR TREATING CANCER BTG INTERNATIONAL LIMITED (GB) 2003-03-13 WO disclosed
WO-2003020706-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[g]QUINAZOLINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2003-03-13 WO 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 (3 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-20040266798-A1 Process for the preparation of cyclopenta[g]quinazoline derivatives COX6A1, MT-ND6, CYP2D6 DHFR 2726/4885TNKS 1543/4885PARP1 745/4885
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 DHFR 1522/4885TNKS 697/4885PARP1 137/4885
US-20050009851-A1 Use of cyclopeta[g]quinazoline derivatives for treating cancer CNR1, NR3C1, NR0B1 DHFR 605/4885TNKS 1998/4885PARP1 1111/4885

“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.