SCHEMBL5612873

SCHEMBL5612873

C#Cc1cccc(N(C)c2cccc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.44
SIGMAR1 Q99720 9/20 0.42
MCL1 Q07820 1/20 0.37
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL12060762 0.85 ALDH1A1 (0.45) DHFRSIGMAR1MCL1CYP1A2CYP2D6
SCHEMBL17934765 0.82 SIGMAR1 (0.39) SIGMAR1CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL1414206 0.78 SIGMAR1 (0.57) DHFRSIGMAR1CYP1A2CYP2D6CYP2C19
SCHEMBL5613021 0.78 CYP1A1 (0.41) SIGMAR1CYP1A1CYP1B1CYP1A2CYP2C19
SCHEMBL12048739 0.78 SIGMAR1 (0.50) DHFRSIGMAR1MCL1CYP1A2CYP2C19
SCHEMBL12048709 0.76 SIGMAR1 (0.49) DHFRSIGMAR1MCL1CYP1A1CYP1B1
SCHEMBL14465459 0.76 SIGMAR1 (0.49) DHFRSIGMAR1MCL1ABCG2
SCHEMBL12258277 0.76 DHFR (0.49) DHFRSIGMAR1MCL1CYP1A2CYP2D6
SCHEMBL1683320 0.74 SIGMAR1 (0.63) DHFRSIGMAR1MCL1CYP1A2CYP2D6
SCHEMBL12048742 0.74 DHFR (0.45) DHFRSIGMAR1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US claimed
US-20070077641-A1 Methionine aminopeptidase and methods of use PALMER LESLIE 2007-04-05 US disclosed
EP-1624849-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-15 EP disclosed
WO-2005016237-A2 METHIONINE AMINOPEPTIDASE AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed
US-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US disclosed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP disclosed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 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 (2 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-20050004116-A1 1H-1,2,3-triazol-4-yl derivatives; antiangiogenesis agents METAP1, METAP2, DNPEP DHFR 234/4885SIGMAR1 2679/4885MCL1 902/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP DHFR 181/4885SIGMAR1 4130/4885MCL1 1672/4885

“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.