SCHEMBL2743495

SCHEMBL2743495

O=C(Nc1nc2ccc(-c3cn[nH]c3)nc2s1)c1ccc(C2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.43
ITK Q08881 4/20 0.43
MAP4K1 Q92918 2/20 0.41
DGAT1 O75907 6/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
SCD O00767 1/20 0.39
CLK1 P49759 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ROCK2 O75116 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MELK Q14680 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL2744238 0.86 SCD (0.42) LCKITKMAP4K1SCDROCK2
SCHEMBL2743815 0.84 MAP3K5 (0.52) MAP4K1SCDCLK1HIPK2CLK4
SCHEMBL2743617 0.83 MAP3K5 (0.44) LCKITKMAP4K1SCDCLK1
SCHEMBL2743624 0.81 CLK1 (0.43) LCKITKSCDCLK1ROCK2
SCHEMBL2743398 0.80 MAP3K5 (0.42) LCKITKMAP4K1SCDCLK1
SCHEMBL2743622 0.80 SCD (0.56) SCDNPC1RAB9A
SCHEMBL31452288 0.73 BRAF (0.47) LCKMAP4K1
SCHEMBL13457496 0.69 SMN1; SMN2 (0.62) LCKITKSCDROCK2NPC1
SCHEMBL1650546 0.68 ALDH1A1 (0.58) LCKNPC1RAB9A
SCHEMBL2743723 0.67 SCD (0.42) SCDNPC1RAB9A

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 claimed
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US claimed
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

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 LCK 272/4885ITK 1772/4885MAP4K1 67/4885

“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.