SCHEMBL2743540

SCHEMBL2743540

Nc1nc2ccc(-c3cn[nH]c3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.43
AKT2 P31751 4/20 0.40
AKT1 P31749 3/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.38
CLK2 P49760 2/20 0.37
HIPK1 Q86Z02 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
HIPK3 Q9H422 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
DYRK2 Q92630 1/20 0.37
MAPK8 P45983 1/20 0.37
FTO Q9C0B1 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
AKT3 Q9Y243 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CLK1 P49759 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL19031537 0.76 ALKBH5 (0.62) FTOALKBH5
SCHEMBL8143280 0.74 PIK3CD (0.53) MAPTCLK4ROCK2ROCK1
SCHEMBL30526633 0.73 LTA4H (0.44) MAPT
SCHEMBL30526832 0.73 ALDH1A1 (0.50) MAPT
SCHEMBL30526740 0.73 MAPT (0.49) MAPK1MAPT
SCHEMBL3716975 0.73 PIK3CD (0.57) MAPT
SCHEMBL12543832 0.71 MAPT (0.43) MAPT
SCHEMBL31157120 0.71 MAPK1 (0.40) ILKAKT2AKT1MAPK1MAPK8
SCHEMBL3708514 0.71 PIK3CG (0.47) FTOALKBH5PIM1PIM3PIM2
SCHEMBL30526641 0.70 GAA (0.45) CLK2CLK4

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
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178555-B2 Apoptosis signal-regulating kinase 1 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2010008843-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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 (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-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD ILK 861/4885AKT2 195/4885AKT1 134/4885

“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.