SCHEMBL2196644

SCHEMBL2196644

O=C(O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)oc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.47
PDGFRB P09619 4/20 0.47
KIT P10721 4/20 0.47
FLT1 P17948 4/20 0.47
AURKA O14965 3/20 0.47
ABL1 P00519 3/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
RIPK1 Q13546 2/20 0.45
RIPK3 Q9Y572 2/20 0.45
BRAF P15056 3/20 0.44
LIMK2 P53671 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
DHODH Q02127 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2194742 0.87 ABL1 (0.47) ABL1MTNR1AMTNR1B
SCHEMBL2192163 0.85 ABL1 (0.45) KDRPDGFRBKITFLT1AURKA
SCHEMBL2192527 0.83 KDR (0.55) KDRPDGFRBKITFLT1ABL1
SCHEMBL2189841 0.83 NPC1 (0.47) KDRABL1MTNR1AMTNR1BRIPK1
SCHEMBL2192794 0.81 ALDH1A1 (0.52) KDRBRAFMAPT
SCHEMBL2191687 0.81 ABL1 (0.42) KDRPDGFRBKITFLT1AURKA
SCHEMBL2194095 0.80 BRAF (0.57) KDRPDGFRBKITFLT1AURKA
SCHEMBL2195154 0.80 BRAF (0.64) KDRBRAFKMT2A
SCHEMBL2194492 0.78 SMN1; SMN2 (0.55) KDRPDGFRBKITFLT1AURKA
SCHEMBL3245490 0.77 KDR (0.53) KDRPDGFRBKITFLT1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KDR 843/4885PDGFRB 2265/4885KIT 1815/4885

“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.