SCHEMBL2194492

SCHEMBL2194492

O=C(O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)[nH]c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
KDR P35968 11/20 0.53
TEK Q02763 9/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ABL1 P00519 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AURKA O14965 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FLT1 P17948 1/20 0.47

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
SCHEMBL2190668 0.85 SMN1; SMN2 (0.57) SMN1; SMN2KDRTEKNPC1RAB9A
SCHEMBL2193032 0.83 KDR (0.57) KDRTEK
SCHEMBL2192136 0.81 BRAF (0.66) SMN1; SMN2KDRTEKNPC1RAB9A
SCHEMBL2192255 0.81 SMN1; SMN2 (0.49) SMN1; SMN2KDRTEKNPC1RAB9A
SCHEMBL2194111 0.80 BRAF (0.57) SMN1; SMN2KDRTEKNPC1RAB9A
SCHEMBL3245305 0.79 KDR (0.50) SMN1; SMN2KDRTEKABL1
SCHEMBL2196644 0.78 KDR (0.47) SMN1; SMN2KDRABL1AURKAPDGFRB
SCHEMBL3245490 0.77 KDR (0.53) KDRABL1AURKAPDGFRBKIT
SCHEMBL3104488 0.76 SMN1; SMN2 (0.55) SMN1; SMN2KDRTEKNPC1RAB9A
SCHEMBL2859622 0.73 KDR (0.72) KDRAURKAPDGFRBKITFLT1

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 SMN1; SMN2 4421/4885KDR 843/4885TEK 3803/4885

“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.