SCHEMBL1944253

SCHEMBL1944253

c1ccc(-c2cn3nc(NCC4CC4)sc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALOX15 P16050 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 3/20 0.49
F2RL3 Q96RI0 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL1946366 0.92 FYN (0.53) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2251631 0.89 MKNK1 (0.59) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944318 0.89 MKNK1 (0.45) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944449 0.88 PIM1 (0.46) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944732 0.87 FYN (0.55) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1945276 0.87 MAPT (0.45) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944647 0.86 F2RL3 (0.55) TP53SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL1947246 0.86 F2RL3 (0.55) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2257601 0.86 F2RL3 (0.55) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944613 0.86 F2RL3 (0.55) TP53SMN1; SMN2NPC1RAB9AKDM4E

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-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2193133-B1 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-19 EP disclosed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8563550-B2 Imidazolothiadiazoles for use as protein kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) 2013-10-22 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-08-04 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 US disclosed
EP-2193133-A2 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-06-09 EP disclosed
WO-2009040552-A2 SUBSTITUTED IMIDAZO (2, 1-B) -1, 3, 4-THIAZOLE COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2009-04-02 WO 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 (2 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-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 TP53 322/4885SMN1; SMN2 3346/4885NPC1 2895/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R TP53 237/4885SMN1; SMN2 4370/4885NPC1 3811/4885

“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.