SCHEMBL3534437

SCHEMBL3534437

O=C(ONc1ccc(Oc2ccc(-c3nnc(Nc4ccc(OC(F)(F)F)cc4)[nH]3)cc2)nn1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.35
BCR P11274 7/20 0.35
TEK Q02763 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
EPHX2 P34913 2/20 0.33
CHRNA7 P36544 1/20 0.33
DHODH Q02127 1/20 0.32
FAAH O00519 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
SERPINE1 P05121 1/20 0.31

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
SCHEMBL3533387 0.85 KDR (0.46)
Trifluoroacetic Acid SCHEMBL3534433 0.82 KCNH2 (0.38) ABL1BCRKCNH2SCN5ASCN9A
SCHEMBL12015905 0.80 KCNH2 (0.42) ABL1BCRKCNH2SCN5ASCN9A
SCHEMBL3530520 0.76 KDR (0.44) MAPTGAA
SCHEMBL3532135 0.75 MAPT (0.43) ABL1BCREPHX2CHRNA7DHODH
SCHEMBL3528732 0.75 MAPT (0.43) ABL1BCREPHX2CHRNA7DHODH
Trifluoroacetic Acid SCHEMBL3535556 0.74 KCNH2 (0.38) ABL1BCRKCNH2SCN5ASCN9A
SCHEMBL12015911 0.74 ABL1 (0.45) ABL1BCRKCNH2SCN5ASCN9A
SCHEMBL12015903 0.72 SCN9A (0.43) ABL1BCRKCNH2SCN5ASCN9A
SCHEMBL12015912 0.72 SCN9A (0.43) ABL1BCRKCNH2SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
EP-2532653-A1 Benzo[1,2,4]triazines as protein kinase modulators Targegen, Inc. (US) 2012-12-12 EP disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 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 (4 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ABL1 492/4885BCR 1915/4885TEK 4141/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ABL1 492/4885BCR 1915/4885TEK 4141/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS ABL1 492/4885BCR 1915/4885TEK 4141/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS ABL1 492/4885BCR 1915/4885TEK 4141/4885

“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.