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SCHEMBL2851706

SCHEMBL2851706

CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c(Cl)cc2F)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.61
▸ BRAF P15056 14/20 0.61
▸ PDGFRB P09619 3/20 0.57
▸ KIT P10721 2/20 0.57
▸ IKBKB O14920 2/20 0.57
▸ RAF1 P04049 2/20 0.57
▸ CDK1 P06493 2/20 0.57
▸ FGFR3 P22607 2/20 0.57
▸ MAP2K1 Q02750 2/20 0.57
▸ TEK Q02763 2/20 0.57
▸ MAPK14 Q16539 2/20 0.57
▸ AURKB Q96GD4 2/20 0.57
▸ ERBB2 P04626 1/20 0.57
▸ SRC P12931 1/20 0.57
▸ PDGFRA P16234 1/20 0.57
▸ FLT1 P17948 1/20 0.42
▸ DHODH Q02127 1/20 0.40
▸ RIPK1 Q13546 4/20 0.39
▸ RIPK3 Q9Y572 4/20 0.39
▸ CHEK1 O14757 1/20 0.39

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
SCHEMBL2864418 0.92 KDR (0.55) KDRBRAFPDGFRBKITIKBKB
SCHEMBL2851337 0.91 BRAF (0.50) KDRBRAFPDGFRBKITIKBKB
SCHEMBL2856506 0.90 KDR (0.74) KDRBRAFPDGFRBKITIKBKB
SCHEMBL2860332 0.88 KDR (0.64) KDRBRAFPDGFRBKITIKBKB
SCHEMBL823621 0.87 BRAF (0.54) KDRBRAFPDGFRBKITIKBKB
SCHEMBL2853332 0.87 BRAF (0.55) KDRBRAFPDGFRBKITIKBKB
SCHEMBL2860510 0.87 KDR (0.56) KDRBRAFPDGFRBKITIKBKB
SCHEMBL2854029 0.86 KDR (0.56) KDRBRAFPDGFRBKITIKBKB
SCHEMBL2856486 0.86 KDR (0.82) KDRBRAFPDGFRBKITIKBKB
SCHEMBL2875503 0.85 KDR (0.55) KDRBRAFPDGFRBKITIKBKB

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 983/4885BRAF 1/4885PDGFRB 1509/4885

“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.