SCHEMBL1944449

SCHEMBL1944449

c1ccc2cc(-c3cn4nc(NCC5CC5)sc4n3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
F2RL3 Q96RI0 5/20 0.44
CYP11B2 P19099 1/20 0.44
FYN P06241 3/20 0.43
MKNK1 Q9BUB5 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 6/20 0.40
DKK1 O94907 1/20 0.40
ALOX15 P16050 2/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 3/20 0.38
MAPK9 P45984 1/20 0.37

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
SCHEMBL1944445 0.93 FYN (0.47) PIM1F2RL3CYP11B2FYNMKNK1
SCHEMBL1944253 0.88 TP53 (0.53) F2RL3FYNMKNK1SMN1; SMN2NPC1
SCHEMBL1944647 0.84 F2RL3 (0.55) PIM1F2RL3FYNMKNK1SMN1; SMN2
SCHEMBL1947246 0.84 F2RL3 (0.55) F2RL3FYNMKNK1SMN1; SMN2NPC1
SCHEMBL2250023 0.84 ERN1 (0.50) PIM1F2RL3FYNMKNK1SMN1; SMN2
SCHEMBL2251631 0.82 MKNK1 (0.59) F2RL3FYNMKNK1SMN1; SMN2NPC1
SCHEMBL1944318 0.82 MKNK1 (0.45) F2RL3FYNMKNK1SMN1; SMN2NPC1
SCHEMBL2250766 0.82 FYN (0.53) PIM1F2RL3FYNMKNK1SMN1; SMN2
SCHEMBL1946517 0.82 FYN (0.66) PIM1FYNMKNK1
SCHEMBL17004610 0.82 F2RL3 (0.57) PIM1F2RL3FYNMKNK1

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 PIM1 1/4885F2RL3 3047/4885CYP11B2 1425/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R PIM1 72/4885F2RL3 1121/4885CYP11B2 1456/4885

“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.