Sugi Predict

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SCHEMBL2853863

SCHEMBL2853863

COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.52
▸ PDGFRB P09619 2/20 0.52
▸ KIT P10721 2/20 0.52
▸ FLT1 P17948 1/20 0.52
▸ BRAF P15056 4/20 0.52
▸ GRM4 Q14833 3/20 0.45
▸ MAPT P10636 4/20 0.45
▸ IKBKB O14920 1/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44
▸ TEK Q02763 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ MEN1 O00255 2/20 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
SCHEMBL13354045 0.86 F2R (0.46) KDRPDGFRBKITFLT1BRAF
SCHEMBL2859325 0.85 KDR (0.53) KDRPDGFRBKITFLT1BRAF
SCHEMBL2855441 0.82 KDR (0.51) KDRPDGFRBKITFLT1BRAF
SCHEMBL2860036 0.82 BRAF (0.51) KDRPDGFRBKITFLT1BRAF
SCHEMBL2858254 0.80 KDR (0.70) KDRPDGFRBKITFLT1BRAF
SCHEMBL2875503 0.80 KDR (0.55) KDRPDGFRBKITFLT1BRAF
SCHEMBL2857842 0.80 BRAF (0.52) KDRPDGFRBKITFLT1BRAF
SCHEMBL13354081 0.80 KDR (0.48) KDRPDGFRBKITFLT1BRAF
SCHEMBL2855483 0.80 BRAF (0.65) KDRPDGFRBKITFLT1BRAF
SCHEMBL2857653 0.79 BRAF (0.51) KDRPDGFRBKITFLT1BRAF

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 KDR 983/4885PDGFRB 1509/4885KIT 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.