SCHEMBL945284

SCHEMBL945284

O=C(Nc1cccc(-c2cncn2C2CC2)c1)c1cc(-c2cnc3ccccc3c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MAP3K5 Q99683 1/20 0.44
MAP4K4 O95819 1/20 0.41
CSNK1G2 P78368 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
JAK2 O60674 2/20 0.41
CBLB Q13191 1/20 0.41
MMP9 P14780 1/20 0.41
RPS6KA3 P51812 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SYK P43405 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL944169 0.86 MAP3K5 (0.47) CNR1MAP3K5ABL1BCRSRC
SCHEMBL943940 0.85 MAP3K5 (0.45) CNR1CNR2MAP3K5MAP4K4CSNK1G2
SCHEMBL945258 0.85 MAP3K5 (0.61) CNR1CNR2MAP3K5MAP4K4CSNK1G2
SCHEMBL15422959 0.84 MAP3K5 (0.45) MAP3K5SMN1; SMN2CCNCCDK8
SCHEMBL945270 0.83 MAP3K5 (0.52) MAP3K5CBLBSMN1; SMN2ABL1BCR
SCHEMBL943792 0.83 MAP3K5 (0.48) MAP3K5CBLBSMN1; SMN2ABL1BCR
SCHEMBL947782 0.82 PIK3C3 (0.51) MAP3K5MKNK2CBLBSMN1; SMN2ALDH1A1
SCHEMBL15422949 0.81 FAAH (0.43) MAP3K5MKNK2CCNCCDK8
SCHEMBL946466 0.79 MAP3K5 (0.51) CNR1CNR2MAP3K5MAP4K4CSNK1G2
SCHEMBL17728225 0.76 CNR1 (0.49) CNR1CNR2MAP3K5MAP4K4CSNK1G2

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 EP claimed
EP-3363797-A1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2018-08-22 EP claimed
EP-2933252-B1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES INC (US) 2018-01-03 EP claimed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 US claimed
EP-2933252-A1 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-10-21 EP claimed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 US claimed
EP-2454250-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-01-14 EP claimed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 US claimed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US claimed
CN-102482257-A Apoptosis signal-modulating kinase inhibitors GILEAD SCIENCES INC 2012-05-30 CN claimed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US claimed
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 EP disclosed
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 EP disclosed
EP-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 EP disclosed
US-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS GILEAD SCIENCES, INC. 2018-11-01 US disclosed
CN-102482257-A Apoptosis signal-modulating kinase inhibitors GILEAD SCIENCES INC 2012-05-30 CN disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 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 (4 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-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 CNR1 3670/4885CNR2 4458/4885MAP3K5 16/4885
US-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS BRD4, JAK2, JAK1 CNR1 4028/4885CNR2 4210/4885MAP3K5 105/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CNR1 3834/4885CNR2 4486/4885MAP3K5 16/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CNR1 3834/4885CNR2 4486/4885MAP3K5 16/4885

“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.