Sugi Predict

Sugi Predict / Compounds / SCHEMBL2860036

SCHEMBL2860036

SCHEMBL2860036

COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 12/20 0.51
▸ KDR P35968 11/20 0.51
▸ KIT P10721 2/20 0.51
▸ FLT1 P17948 2/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ ABL1 P00519 2/20 0.50
▸ STK10 O94804 1/20 0.50
▸ RET P07949 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ CDK11B P21127 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ MAPK12 P53778 1/20 0.50
▸ CDK3 Q00526 1/20 0.50
▸ CDK5 Q00535 1/20 0.50
▸ TEK Q02763 1/20 0.50
▸ DDR1 Q08345 1/20 0.50
▸ HIPK1 Q86Z02 1/20 0.50

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
SCHEMBL2861512 0.94 KDR (0.52) BRAFKDRKITFLT1PDGFRB
SCHEMBL2855661 0.92 KDR (0.53) BRAFKDRKITFLT1PDGFRB
SCHEMBL2855483 0.90 BRAF (0.65) BRAFKDRKITFLT1PDGFRB
SCHEMBL2853887 0.87 KDR (0.64) BRAFKDRKITFLT1PDGFRB
SCHEMBL13185048 0.85 BRAF (0.51) BRAFKDRKITFLT1PDGFRB
SCHEMBL13185004 0.84 POLB (0.47) BRAFKDRPOLB
SCHEMBL13354081 0.84 KDR (0.48) BRAFKDRKITFLT1PDGFRB
SCHEMBL2857842 0.84 BRAF (0.52) BRAFKDRKITFLT1PDGFRB
SCHEMBL13185006 0.83 BRAF (0.56) BRAFKDRKITFLT1PDGFRB
SCHEMBL2859325 0.83 KDR (0.53) BRAFKDRKITFLT1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 — — EP disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 — — EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 — — US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 — — US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 — — US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 — — EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 983/4885KIT 1095/4885

“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.