Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL987068

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.38

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
SCHEMBL988272 0.96 DHFR (0.37) DHFR
SCHEMBL988271 0.96 DHFR (0.37) DHFR
SCHEMBL987069 0.90 DHFR (0.35) DHFR
SCHEMBL989132 0.88 DHFR (0.36) DHFR
SCHEMBL989131 0.88 DHFR (0.36) DHFR
SCHEMBL988728 0.88 MEN1 (0.35) DHFR
SCHEMBL988729 0.88 MEN1 (0.35) DHFR
SCHEMBL13255227 0.87 DHFR (0.38) DHFR
SCHEMBL988538 0.86 TYMS (0.39) DHFR
SCHEMBL988539 0.86 TYMS (0.39) DHFR

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 23 patents — showing the first 20. 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-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-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-7863284-B2 Anti-cancer cyclopenta[G]quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2011-01-04 US disclosed
US-20100273817-A1 Anti-cancer cyclopenta(g)quinazoline compounds BGT International Limited (GB) 2010-10-28 US disclosed
EP-1421105-B1 ANTI-CANCER CYCLOPENTA¬G QUINAZOLINE COMPOUNDS BTG INT LTD (GB) 2010-10-06 EP disclosed
US-20100056551-A1 Anti-cancer cyclopenta [G] quinazoline compounds BTG INTERNATIONAL LIMITED (GB) 2010-03-04 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-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-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-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 (5 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 DHFR 1345/4885
US-20100273817-A1 Anti-cancer cyclopenta(g)quinazoline compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR1, NR0B1 DHFR 1294/4885
US-20040266798-A1 Process for the preparation of cyclopenta[g]quinazoline derivatives COX6A1, MT-ND6, CYP2D6 DHFR 2726/4885
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 1522/4885
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 DHFR 1441/4885

“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.