SCHEMBL14949582

SCHEMBL14949582

CC(C)(C)Oc1nccc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.44
BRAF P15056 8/20 0.44
MAPK14 Q16539 6/20 0.44
TNNI3K Q59H18 6/20 0.44
PDGFRB P09619 3/20 0.44
KIT P10721 3/20 0.44
PDGFRA P16234 1/20 0.44
CDK11B P21127 1/20 0.44
FLT3 P36888 1/20 0.44
CDKL2 Q92772 1/20 0.44
RAF1 P04049 2/20 0.41
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14949590 0.93 KDR (0.43) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL12336418 0.92 BRAF (0.41) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL12336274 0.91 BRAF (0.45) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL14949574 0.90 BRAF (0.44) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL14949595 0.88 PDGFRB (0.53) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL12336248 0.88 KDR (0.47) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL14949570 0.87 BRAF (0.42) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL12336512 0.86 KDR (0.51) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL12336425 0.85 ABCG2 (0.40) KDRBRAFMAPK14TNNI3KPDGFRB
SCHEMBL625074 0.85 PDGFRB (0.56) KDRBRAFMAPK14TNNI3KPDGFRB

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 11 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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 533/4885BRAF 39/4885MAPK14 90/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 KDR 533/4885BRAF 39/4885MAPK14 90/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 KDR 533/4885BRAF 39/4885MAPK14 90/4885

“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.