Sugi Predict

Sugi Predict / Compounds / SCHEMBL2853887

SCHEMBL2853887

SCHEMBL2853887

O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.64
▸ KIT P10721 3/20 0.64
▸ FLT1 P17948 3/20 0.64
▸ PDGFRB P09619 2/20 0.64
▸ BRAF P15056 15/20 0.60
▸ PDGFRA P16234 2/20 0.51
▸ TEK Q02763 2/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ FGFR3 P22607 1/20 0.51
▸ STK10 O94804 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ RET P07949 1/20 0.49
▸ CDK11B P21127 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ MAPK12 P53778 1/20 0.49
▸ CDK3 Q00526 1/20 0.49
▸ CDK5 Q00535 1/20 0.49

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
SCHEMBL2853616 0.89 KDR (0.64) KDRKITFLT1PDGFRBBRAF
SCHEMBL2853808 0.88 KDR (0.74) KDRKITFLT1PDGFRBBRAF
SCHEMBL2855717 0.88 KDR (0.54) KDRKITFLT1PDGFRBBRAF
SCHEMBL2855661 0.87 KDR (0.53) KDRKITFLT1PDGFRBBRAF
SCHEMBL2857661 0.87 KDR (0.51) KDRKITFLT1PDGFRBBRAF
SCHEMBL2860036 0.87 BRAF (0.51) KDRKITFLT1PDGFRBBRAF
SCHEMBL2193777 0.87 KDR (0.63) KDRKITFLT1PDGFRBBRAF
SCHEMBL2853868 0.86 BRAF (0.65) KDRKITFLT1BRAFPDGFRA
SCHEMBL2861512 0.85 KDR (0.52) KDRKITFLT1PDGFRBBRAF
SCHEMBL2851294 0.85 KDR (0.56) KDRKITFLT1PDGFRBBRAF

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 10 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
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 983/4885KIT 1095/4885FLT1 1422/4885

“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.