SCHEMBL12336512

SCHEMBL12336512

Nc1nccc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.51
PDGFRB P09619 2/20 0.51
KIT P10721 2/20 0.51
FLT1 P17948 2/20 0.51
FLT4 P35916 2/20 0.51
RET P07949 1/20 0.51
PDGFRA P16234 1/20 0.48
CDK11B P21127 1/20 0.48
FLT3 P36888 1/20 0.48
CDKL2 Q92772 1/20 0.48
BRAF P15056 7/20 0.44
MAPK14 Q16539 3/20 0.44
TNNI3K Q59H18 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
RAF1 P04049 1/20 0.42
AURKA O14965 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL12336298 0.92 KDR (0.51) KDRPDGFRBKITFLT1FLT4
SCHEMBL12336248 0.89 KDR (0.47) KDRPDGFRBKITFLT1FLT4
SCHEMBL627642 0.89 PDGFRB (0.56) KDRPDGFRBKITFLT1FLT4
SCHEMBL14949590 0.87 KDR (0.43) KDRPDGFRBKITFLT1FLT4
SCHEMBL12336274 0.87 BRAF (0.45) KDRPDGFRBKITFLT1FLT4
SCHEMBL17661783 0.87 KDR (0.51) KDRPDGFRBKITFLT1FLT4
SCHEMBL14949596 0.86 BRAF (0.45) KDRPDGFRBKITFLT1FLT4
SCHEMBL625074 0.86 PDGFRB (0.56) KDRPDGFRBKITFLT1FLT4
SCHEMBL12348812 0.86 PDGFRB (0.48) KDRPDGFRBKITFLT1FLT4
SCHEMBL625593 0.86 PDGFRB (0.51) KDRPDGFRBKITFLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 US disclosed
US-20140296268-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS, INC. 2014-10-02 US disclosed
US-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS INC (US) 2013-05-16 US disclosed
US-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS INC (US) 2013-05-16 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

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-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION MAP4K2, MAP3K20, MAP3K19 KDR 533/4885PDGFRB 497/4885KIT 540/4885
US-20160237064-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION TIE1, PRKCH, PACSIN2 KDR 5/4885PDGFRB 486/4885KIT 799/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 KDR 533/4885PDGFRB 497/4885KIT 540/4885
US-20140296268-A1 THERAPEUTIC METHODS AND COMPOSITIONS INVOLVING ALLOSTERIC KINASE INHIBITION TIE1, PRKCH, PACSIN2 KDR 5/4885PDGFRB 486/4885KIT 799/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 KDR 533/4885PDGFRB 497/4885KIT 540/4885

“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.