Sugi Predict

Sugi Predict / Compounds / SCHEMBL9987536

SCHEMBL9987536

SCHEMBL9987536

CC(C)(C)c1nc(-c2cccc(NS(C)(=O)=O)c2F)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.67
▸ NR1I2 O75469 6/20 0.67
▸ PLK4 O00444 1/20 0.67
▸ EPHB6 O15197 1/20 0.67
▸ RIPK2 O43353 1/20 0.67
▸ JAK2 O60674 1/20 0.67
▸ ULK1 O75385 1/20 0.67
▸ ERN1 O75460 1/20 0.67
▸ PRKD3 O94806 1/20 0.67
▸ ABL1 P00519 1/20 0.67
▸ KRAS P01116 1/20 0.67
▸ RAF1 P04049 1/20 0.67
▸ LCK P06239 1/20 0.67
▸ FYN P06241 1/20 0.67
▸ CDK1 P06493 1/20 0.67
▸ YES1 P07947 1/20 0.67
▸ LYN P07948 1/20 0.67
▸ MET P08581 1/20 0.67
▸ HCK P08631 1/20 0.67
▸ FGR P09769 1/20 0.67

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
SCHEMBL12072678 0.90 BRAF (0.54) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL1128208 0.89 BRAF (0.81) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL12668202 0.88 BRAF (0.60) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL16266668 0.88 BRAF (0.59) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL31111571 0.88 BRAF (0.59) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL12669095 0.87 BRAF (0.58) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL1128124 0.87 BRAF (0.72) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL2192986 0.86 BRAF (0.62) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL1127943 0.86 BRAF (0.62) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL2192768 0.85 BRAF (0.63) BRAFNR1I2PLK4EPHB6RIPK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585454-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2013-05-01 — — EP disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 — — US disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 — — US disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 — — US disclosed
WO-2011161216-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-29 — — WO disclosed
WO-2011161216-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-29 — — 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 (1 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-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885NR1I2 693/4885PLK4 543/4885

“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.