SCHEMBL1947636

SCHEMBL1947636

Clc1cccc(-c2cn3nc(NCCc4ccccn4)sc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.50
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 1/20 0.40
PKM P14618 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
TP53 P04637 4/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL1945219 0.90 SMN1; SMN2 (0.48) F2RL3LMNAPKMKDM4EHPGD
SCHEMBL1944192 0.89 TP53 (0.49) F2RL3PKMKDM4EHPGDMKNK1
SCHEMBL1944085 0.89 POLB (0.41) F2RL3PKMKDM4EHPGDMKNK1
SCHEMBL1944370 0.88 F2RL3 (0.50) F2RL3ADORA2AADORA1PKMKDM4E
SCHEMBL1944774 0.87 ACP1 (0.40) F2RL3PKMKDM4EMKNK1DCTPP1
SCHEMBL1944571 0.86 F2RL3 (0.52) F2RL3MKNK1ALDH1A1PIK3CAPIK3CB
SCHEMBL1946358 0.86 DCTPP1 (0.41) F2RL3PKMKDM4EMKNK1DCTPP1
SCHEMBL15603288 0.86 FYN (0.44) KDM4EMKNK1NPC1RAB9AHSD17B10
SCHEMBL1944767 0.85 FYN (0.44) F2RL3PKMKDM4EMKNK1NPC1
SCHEMBL1946575 0.84 F2RL3 (0.52) F2RL3LMNAKDM4ENPC1RAB9A

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 F2RL3 3047/4885ADORA2A 4787/4885ADORA1 4567/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R F2RL3 1121/4885ADORA2A 1324/4885ADORA1 442/4885

“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.