SCHEMBL12336274

SCHEMBL12336274

COc1nccc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.45
KDR P35968 4/20 0.45
MAPK14 Q16539 3/20 0.45
TNNI3K Q59H18 3/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
PDGFRB P09619 2/20 0.45
KIT P10721 2/20 0.45
PDGFRA P16234 1/20 0.45
CDK11B P21127 1/20 0.45
FLT3 P36888 1/20 0.45
CDKL2 Q92772 1/20 0.45
RAF1 P04049 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
APP P05067 1/20 0.41
HTT P42858 1/20 0.40
GSK3B P49841 2/20 0.40
GAK O14976 1/20 0.39
SYK P43405 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
SCHEMBL12336533 0.92 ABCG2 (0.46) BRAFKDRMAPK14TNNI3KLMNA
SCHEMBL14949574 0.91 BRAF (0.44) BRAFKDRMAPK14TNNI3KLMNA
SCHEMBL14949582 0.91 KDR (0.44) BRAFKDRMAPK14TNNI3KLMNA
SCHEMBL14949590 0.91 KDR (0.43) BRAFKDRMAPK14TNNI3KLMNA
SCHEMBL14949570 0.91 BRAF (0.42) BRAFKDRMAPK14TNNI3KLMNA
SCHEMBL12336248 0.89 KDR (0.47) BRAFKDRMAPK14TNNI3KPDGFRB
SCHEMBL12336300 0.88 PDGFRB (0.55) BRAFKDRMAPK14TNNI3KLMNA
SCHEMBL12336512 0.87 KDR (0.51) BRAFKDRMAPK14TNNI3KLMNA
SCHEMBL14949271 0.87 PIK3CG (0.39) KDRLMNAMAPTMAPK1PDGFRA
SCHEMBL625074 0.87 PDGFRB (0.56) BRAFKDRMAPK14TNNI3KPDGFRB

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 12 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
WO-2011119894-A2 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION KINAGEN, INC (US) 2011-09-29 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 (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 BRAF 39/4885KDR 533/4885MAPK14 90/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 BRAF 39/4885KDR 533/4885MAPK14 90/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 BRAF 39/4885KDR 533/4885MAPK14 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.