SCHEMBL1944451

SCHEMBL1944451

c1ccc(CCNc2nn3cc(-c4ccsc4)nc3s2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.39
CYP1A2 P05177 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 4/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
ALOX15 P16050 2/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.36
PTK2 Q05397 1/20 0.36
HIF1A Q16665 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL1944767 0.89 FYN (0.44) CYP1A2MKNK1SMN1; SMN2NPC1RAB9A
SCHEMBL1944192 0.88 TP53 (0.49) CYP1A2MKNK1SMN1; SMN2NPC1RAB9A
SCHEMBL1945219 0.85 SMN1; SMN2 (0.48) CYP1A2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944774 0.84 ACP1 (0.40) CYP1A2MKNK1SMN1; SMN2NPC1RAB9A
SCHEMBL1947250 0.84 TP53 (0.42) CYP1A2MKNK1SMN1; SMN2NPC1RAB9A
SCHEMBL1944055 0.84 GBA1 (0.48) CYP1A2MKNK1SMN1; SMN2NPC1RAB9A
SCHEMBL1943589 0.83 TAS1R3 (0.45) CYP1A2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1944600 0.82 FYN (0.52) MKNK1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1947636 0.82 F2RL3 (0.50) CYP1A2MKNK1SMN1; SMN2NPC1RAB9A
SCHEMBL1944717 0.82 HSP90AA1 (0.44) CYP1A2MKNK1SMN1; SMN2NPC1RAB9A

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 CHRNA7 4805/4885CYP1A2 2458/4885MKNK1 147/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R CHRNA7 3188/4885CYP1A2 1141/4885MKNK1 860/4885

“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.