SCHEMBL4469972

SCHEMBL4469972

O=C(O)c1csnc1C1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.53
JAK1 P23458 3/20 0.53
TYK2 P29597 2/20 0.53
JAK3 P52333 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.46
ENPP2 Q13822 2/20 0.45
USP30 Q70CQ3 1/20 0.44
BCL9 O00512 4/20 0.43
CTNNB1 P35222 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4B Q07343 1/20 0.43
GRIN2B Q13224 3/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL4478755 0.89 JAK2 (0.49) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL4477032 0.88 JAK2 (0.53) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL4475659 0.80 JAK2 (0.48) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29087342 0.78 SMN1; SMN2 (0.59) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL4477950 0.78 JAK2 (0.49) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2787104 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL15841156 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL9906942 0.76 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4473246 0.76 JAK2 (0.49) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL4968602 0.76 PDE4B (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2

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
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
CN-101370811-A Imidazopyrazine compounds as protein kinase inhibitors SCHERING CORP (US) 2009-02-18 CN disclosed
EP-1945643-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
EP-1945644-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-07-23 EP disclosed
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 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 (3 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-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 JAK2 143/4885JAK1 110/4885TYK2 357/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A JAK2 71/4885JAK1 62/4885TYK2 120/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 JAK2 170/4885JAK1 86/4885TYK2 64/4885

“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.