SCHEMBL3533387

SCHEMBL3533387

O=C(ONc1ccc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]3)cc2)nn1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.46
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
BRAF P15056 9/20 0.40
RAF1 P04049 2/20 0.39
CHEK2 O96017 1/20 0.38
CDK8 P49336 2/20 0.37

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
SCHEMBL3530520 0.91 KDR (0.44) KDRMEN1ALDH1A1KMT2ABRAF
SCHEMBL3534437 0.85 ABL1 (0.35)
Trifluoroacetic Acid SCHEMBL3533384 0.84 CDK8 (0.45) KDRMEN1ALDH1A1KMT2ABRAF
SCHEMBL12015913 0.82 MEN1 (0.47) KDRMEN1ALDH1A1KMT2ABRAF
Trifluoroacetic Acid SCHEMBL3537358 0.79 CDK8 (0.43) KDRMEN1ALDH1A1KMT2ABRAF
SCHEMBL12015920 0.77 MEN1 (0.42) KDRMEN1ALDH1A1KMT2ABRAF
SCHEMBL12348822 0.76 KDR (0.61) KDRMEN1ALDH1A1KMT2ABRAF
Trifluoroacetic Acid SCHEMBL3575960 0.75 RAF1 (0.49) KDRMEN1ALDH1A1KMT2ABRAF
SCHEMBL12348794 0.75 KDR (0.45) KDRMEN1ALDH1A1KMT2ABRAF
SCHEMBL626746 0.75 KDR (0.47) KDRMEN1ALDH1A1KMT2ABRAF

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 KDR 4380/4885MEN1 1802/4885ALDH1A1 1642/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885MEN1 1802/4885ALDH1A1 1642/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS KDR 4380/4885MEN1 1802/4885ALDH1A1 1642/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885MEN1 1802/4885ALDH1A1 1642/4885

“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.