Sugi Predict

Sugi Predict / Compounds / SCHEMBL84656

SCHEMBL84656

SCHEMBL84656

COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccnc(NCC(C)C)n2)cnc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.53
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HRH4 Q9H3N8 2/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PRKCD Q05655 1/20 0.33

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
SCHEMBL67732 0.91 BRAF (0.53) BRAFDYRK1ACLK4HRH4PRKD3
SCHEMBL66924 0.89 BRAF (0.49) BRAFHDAC1
SCHEMBL69916 0.89 BRAF (0.47) BRAFHDAC1PPARDPPARA
SCHEMBL69917 0.89 BRAF (0.47) BRAFHDAC1PPARDPPARA
SCHEMBL68326 0.87 BRAF (0.41) BRAFAAK1ALOX5APFEN1
SCHEMBL67471 0.86 BRAF (0.39) BRAFHRH4PRKD3AAK1ALOX5AP
SCHEMBL15181570 0.80 BRAF (0.42) BRAFPPARDPPARA
SCHEMBL68024 0.80 BRAF (0.47) BRAF
SCHEMBL68025 0.80 BRAF (0.47) BRAF
SCHEMBL67439 0.76 BRAF (0.41) BRAFPPARD

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
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 — — 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 (2 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS BRAF 1/4885IDO1 3884/4885TDO2 1562/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS BRAF 1/4885IDO1 4361/4885TDO2 3967/4885

“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.