SCHEMBL12336299

SCHEMBL12336299

Nc1cc(Oc2cccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.45
RAF1 P04049 2/20 0.45
CDK8 P49336 2/20 0.43
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
EGFR P00533 1/20 0.39
PTK6 Q13882 1/20 0.39
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
CDK7 P50613 1/20 0.39
CDK6 Q00534 1/20 0.39
HTT P42858 1/20 0.39
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 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
SCHEMBL12336722 0.92 BRAF (0.47) BRAFRAF1CDK8NOS3NOS2
SCHEMBL12336575 0.89 BRAF (0.47) BRAFRAF1ABCG2EGFRPTK6
SCHEMBL12336278 0.88 BRAF (0.49) BRAFRAF1ABCG2PTK6AURKA
SCHEMBL12336537 0.87 BRAF (0.46) BRAFRAF1MAPTABCG2PTK6
SCHEMBL12336277 0.87 KDR (0.53) BRAFCDK8KDM4EEGFRKDR
SCHEMBL12336298 0.86 KDR (0.51) BRAFRAF1KDM4EMAPTABCG2
SCHEMBL14949311 0.85 CDK8 (0.40) CDK8EGFRKDRTTBK1
SCHEMBL12336270 0.84 PDGFRB (0.47) BRAFRAF1CDK8KDM4EMAPT
SCHEMBL12336582 0.83 KIF11 (0.41) BRAFRAF1CDK8ABCG2EGFR
SCHEMBL12336569 0.82 PDGFRB (0.47) BRAFRAF1CDK8KDM4EMAPT

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 42/4885CDK8 49/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 BRAF 39/4885RAF1 42/4885CDK8 49/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 BRAF 39/4885RAF1 42/4885CDK8 49/4885

“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.