SCHEMBL626746

SCHEMBL626746

Nc1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]3)cc2)nc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CDK8 P49336 4/20 0.40
BRAF P15056 6/20 0.40
RAF1 P04049 3/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
CDK11B P21127 1/20 0.40
FLT3 P36888 1/20 0.40
CDKL2 Q92772 1/20 0.40
CHEK2 O96017 2/20 0.40
HDAC3 O15379 1/20 0.36
ARAF P10398 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL12015906 0.94 KDR (0.44) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL3532109 0.94 KDR (0.46) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL12348791 0.91 KDR (0.45) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL12015914 0.90 MEN1 (0.43) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL626906 0.89 PDGFRB (0.54) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL12348792 0.89 PDGFRB (0.44) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL12348822 0.88 KDR (0.61) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL12348794 0.87 KDR (0.45) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL12015913 0.87 MEN1 (0.47) KDRMEN1ALDH1A1KMT2ACDK8
SCHEMBL13547690 0.86 PDGFRB (0.36) KDRMEN1ALDH1A1KMT2APDGFRB

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130266636-A1 METHODS FOR BLOCKING CELL PROLIFERATION AND TREATING DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-10 US claimed
WO-2012021778-A2 METHODS FOR BLOCKING CELL PROLIFERATION AND TREATING DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 WO claimed
US-20130266636-A1 METHODS FOR BLOCKING CELL PROLIFERATION AND TREATING DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-10 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
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
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 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-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 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-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
EP-1799656-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN INC (US) 2009-09-02 EP disclosed
EP-1799656-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Targegen, Inc. (US) 2007-06-27 EP disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 US disclosed
WO-2006024034-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2006-03-02 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-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
US-20130266636-A1 METHODS FOR BLOCKING CELL PROLIFERATION AND TREATING DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION BRAF, BUB1B, MKI67 KDR 2616/4885MEN1 670/4885ALDH1A1 3995/4885

“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.