SCHEMBL1946744

SCHEMBL1946744

COc1ccc(-c2cn3nc(NCC4CC4)sc3n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.56
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAK O14976 1/20 0.45
F2RL3 Q96RI0 10/20 0.44
MAP3K11 Q16584 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1946231 0.91 FYN (0.58) FYNMEN1ALDH1A1LMNAHPGD
SCHEMBL1945189 0.85 FYN (0.68) FYNMEN1ALDH1A1LMNAHPGD
SCHEMBL1651387 0.83 FYN (0.56) FYNALDH1A1F2RL3
SCHEMBL18613722 0.83 FYN (0.62) FYNMEN1ALDH1A1KMT2ANPC1
SCHEMBL1943616 0.83 FYN (0.47) FYNALDH1A1LMNANPC1RAB9A
SCHEMBL1945061 0.82 MKNK1 (0.44) FYNLMNAF2RL3MAPT
SCHEMBL1946301 0.82 FYN (0.54) FYNMEN1ALDH1A1LMNAHPGD
SCHEMBL1944449 0.81 PIM1 (0.46) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL1945185 0.81 FYN (0.58) FYNF2RL3MAPT
SCHEMBL1945924 0.81 FYN (0.66) FYNMEN1ALDH1A1LMNAHPGD

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 7 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

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 FYN 383/4885MEN1 1894/4885ALDH1A1 2966/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R FYN 1977/4885MEN1 1619/4885ALDH1A1 416/4885

“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.