SCHEMBL12336722

SCHEMBL12336722

Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.47
RAF1 P04049 5/20 0.47
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 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
CDK8 P49336 2/20 0.43
CDK7 P50613 1/20 0.43
CDK6 Q00534 1/20 0.43
KDR P35968 4/20 0.42
MAPK14 Q16539 3/20 0.42
TNNI3K Q59H18 3/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL12336299 0.92 BRAF (0.45) BRAFRAF1PDGFRBKITPDGFRA
SCHEMBL12336724 0.89 BRAF (0.47) BRAFRAF1PDGFRBKITPDGFRA
SCHEMBL12336220 0.89 BRAF (0.49) BRAFRAF1PDGFRBKITPDGFRA
SCHEMBL12336718 0.88 BRAF (0.54) BRAFRAF1PDGFRBKITPDGFRA
SCHEMBL12336408 0.87 BRAF (0.47) BRAFRAF1PDGFRBKITPDGFRA
SCHEMBL625579 0.86 KDR (0.59) BRAFPDGFRBKITPDGFRACDK11B
SCHEMBL14949182 0.85 KDR (0.41) BRAFRAF1CDK8KDRTTBK1
SCHEMBL12336512 0.85 KDR (0.51) BRAFRAF1PDGFRBKITPDGFRA
SCHEMBL12336225 0.83 PDGFRB (0.44) BRAFRAF1PDGFRBKITPDGFRA
SCHEMBL16788744 0.83 PDGFRB (0.53) BRAFRAF1PDGFRBKITPDGFRA

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 39/4885RAF1 42/4885PDGFRB 497/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 BRAF 39/4885RAF1 42/4885PDGFRB 497/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 BRAF 39/4885RAF1 42/4885PDGFRB 497/4885

“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.