SCHEMBL625579

SCHEMBL625579

Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.59
MAPK14 Q16539 13/20 0.59
TNNI3K Q59H18 13/20 0.59
BRAF P15056 12/20 0.59
PDGFRB P09619 1/20 0.51
KIT P10721 1/20 0.51
PDGFRA P16234 1/20 0.51
CDK11B P21127 1/20 0.51
FLT3 P36888 1/20 0.51
CDKL2 Q92772 1/20 0.51
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
EGFR P00533 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.40

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
SCHEMBL12336277 0.92 KDR (0.53) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL12336301 0.89 KDR (0.59) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL627642 0.88 PDGFRB (0.56) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL12336283 0.86 PDGFRB (0.56) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL12336722 0.86 BRAF (0.47) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL14949257 0.85 KDR (0.42) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL14949586 0.84 PDGFRB (0.53) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL12336300 0.84 PDGFRB (0.55) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL12336512 0.84 KDR (0.51) KDRMAPK14TNNI3KBRAFPDGFRB
SCHEMBL626064 0.84 PDGFRB (0.53) KDRMAPK14TNNI3KBRAFPDGFRB

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 39 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
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 EP disclosed
US-20160237064-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-08-18 US disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 US disclosed
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 US disclosed
US-9260417-B2 Therapeutic methods and compositions involving allosteric kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2016-02-16 US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 US disclosed
WO-2011119894-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION KINAGEN, INC (US) 2011-09-29 WO disclosed
WO-2011097594-A2 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION KINAGEN, INC. (US) 2011-08-11 WO 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-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
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 (6 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-20160237064-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION TIE1, PRKCH, PACSIN2 KDR 5/4885MAPK14 401/4885TNNI3K 104/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 KDR 533/4885MAPK14 90/4885TNNI3K 56/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS KDR 4380/4885MAPK14 3394/4885TNNI3K 403/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 KDR 533/4885MAPK14 90/4885TNNI3K 56/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDR 4380/4885MAPK14 3394/4885TNNI3K 403/4885
US-20130266636-A1 METHODS FOR BLOCKING CELL PROLIFERATION AND TREATING DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION BRAF, BUB1B, MKI67 KDR 2616/4885MAPK14 738/4885TNNI3K 618/4885

“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.