SCHEMBL8446372

SCHEMBL8446372

O=C(Nc1ccccn1)C1CC1c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.47
MAPK14 Q16539 4/20 0.47
GSK3B P49841 1/20 0.47
ABL1 P00519 1/20 0.46
ROCK2 O75116 7/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1C Q13936 1/20 0.45
ITK Q08881 1/20 0.45
JAK2 O60674 5/20 0.45
JAK3 P52333 5/20 0.45
ROCK1 Q13464 5/20 0.45
IKBKB O14920 4/20 0.45
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
LMNA P02545 1/20 0.42
TCF4 P15884 1/20 0.42
CTNNB1 P35222 1/20 0.42
DHODH Q02127 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
Trifluoroacetic Acid SCHEMBL3614385 0.94 DEGS1 (0.45) DEGS1MAPK14GSK3BABL1ROCK2
Trifluoroacetic Acid SCHEMBL3614387 0.94 DEGS1 (0.45) DEGS1MAPK14GSK3BABL1ROCK2
SCHEMBL8453140 0.82 KDM1A (0.47) DEGS1MAPK14GSK3BABL1TCF4
SCHEMBL8453801 0.81 TRPM5 (0.45) ITKLMNA
SCHEMBL8465483 0.81 SCN3A (0.50) ROCK2ITKJAK2JAK3ROCK1
SCHEMBL8446370 0.81 KDM1A (0.45) ABL1
SCHEMBL3605557 0.81 HDAC1 (0.40) DEGS1MAPK14GSK3BABL1ITK
SCHEMBL8446373 0.81 HDAC1 (0.42) DEGS1ABL1LMNATCF4CTNNB1
SCHEMBL8470383 0.80 HDAC1 (0.41) ABL1ROCK2JAK2JAK3ROCK1
SCHEMBL8452373 0.78 PTPN1 (0.40) MAPK14GSK3BABL1TCF4CTNNB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 EP 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 (1 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-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA DEGS1 1252/4885MAPK14 1964/4885GSK3B 1572/4885

“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.