SCHEMBL232850

SCHEMBL232850

O=C(Nc1nc(-c2nncn2C2CC2)cs1)c1cc(-c2cccnc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
MYLK Q15746 3/20 0.47
MAP3K5 Q99683 1/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
GRM5 P41594 1/20 0.44
TNF P01375 1/20 0.44
ABL1 P00519 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL944987 0.85 MYLK (0.54) MYLKMAP3K5TNF
SCHEMBL235181 0.85 MAP3K5 (0.42) MAPTKMT2AMEN1MAP3K5SMN1; SMN2
SCHEMBL233508 0.84 MAP3K5 (0.54) MAP3K5
SCHEMBL231787 0.84 MAP3K5 (0.46) MAP3K5SMN1; SMN2CCR6
SCHEMBL234917 0.83 MAP3K5 (0.50) MYLKMAP3K5TNF
SCHEMBL946361 0.83 MAP3K5 (0.53) MYLKMAP3K5TNFABL1
SCHEMBL945824 0.82 MAP3K5 (0.65) MYLKMAP3K5LMNAGRM5TNF
SCHEMBL944387 0.79 MAP3K5 (0.53) MYLKMAP3K5GRM5TNFABL1
SCHEMBL943911 0.79 MAP3K5 (0.61) MYLKMAP3K5LMNAGRM5TNF
SCHEMBL945365 0.79 MAP3K5 (0.61) MYLKMAP3K5LMNAGRM5TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48150-E1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2020-08-11 US claimed
EP-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 EP claimed
US-8927582-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-01-06 US claimed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 US claimed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 US claimed
US-RE48150-E1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2020-08-11 US disclosed
EP-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 EP disclosed
US-8927582-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
EP-2588475-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003387-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20130203819-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 MAPT 2463/4885ALDH1A1 3284/4885KMT2A 4533/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 MAPT 2463/4885ALDH1A1 3284/4885KMT2A 4533/4885

“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.