SCHEMBL988602

SCHEMBL988602

CC(C)(C)C(=O)OCc1nc2cc3c(cc2c(=O)[nH]1)CCC3

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PARP1 P09874 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 1/20 0.34
RECQL P46063 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6580601 0.87 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1MAPK1TSHR
SCHEMBL988163 0.85 MAPT (0.38) ALDH1A1KDM4EGLATDP1MAPK1
SCHEMBL988751 0.85 MAPT (0.38) ALDH1A1KDM4EGLATDP1MAPK1
SCHEMBL989078 0.77 GRIN2D (0.40) ALDH1A1KDM4ETDP1MAPK1TSHR
SCHEMBL988873 0.74 KDM4E (0.51) ALDH1A1KDM4ETDP1MAPK1TSHR
SCHEMBL987844 0.74 PARP1 (0.39) ALDH1A1KDM4EGLATSHRMAPT
SCHEMBL987842 0.74 PARP1 (0.39) ALDH1A1KDM4EGLATSHRMAPT
SCHEMBL6948647 0.74 GAA (0.42) ALDH1A1KDM4EGLATSHRTP53
SCHEMBL988879 0.72 MAPT (0.37) ALDH1A1KDM4EGLAMAPK1MAPT
SCHEMBL6583200 0.70 POLB (0.39) ALDH1A1GAASMN1; SMN2

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
EP-2655398-B1 EFFICIENT PEPTIDE COUPLINGS AND THEIR USE IN THE SYNTHESIS AND ISOLATION OF A CYCLOPENTA (G) QUINAZOLINE TRISODIUM SALT BTG INT LTD (GB) 2016-08-24 EP disclosed
EP-2213664-B1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG INT LTD (GB) 2014-04-30 EP 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-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
US-7250511-B2 Process for the preparation of cyclopenta[g]quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 2007-07-31 US disclosed
US-7250511-B2 Process for the preparation of cyclopenta[g]quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 2007-07-31 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
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-2003020706-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[g]QUINAZOLINE DERIVATIVES 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

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 ALDH1A1 1243/4885KDM4E 2594/4885GLA 2598/4885
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 ALDH1A1 808/4885KDM4E 1184/4885GLA 1324/4885
US-20050009851-A1 Use of cyclopeta[g]quinazoline derivatives for treating cancer CNR1, NR3C1, NR0B1 ALDH1A1 850/4885KDM4E 4184/4885GLA 3893/4885

“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.