SCHEMBL945228

SCHEMBL945228

O=C(Nc1cccc(-c2cncn2C2CC2)n1)c1cc(-c2ccc(C3CC3)nc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 11/20 0.46
IRAK4 Q9NWZ3 1/20 0.41
GRM5 P41594 3/20 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
SCHEMBL956057 0.89 MAP3K5 (0.49) MAP3K5GRM5
SCHEMBL945108 0.87 MAP3K5 (0.45) MAP3K5GRM5
SCHEMBL943940 0.85 MAP3K5 (0.45) MAP3K5GRM5
SCHEMBL945769 0.85 MAP3K5 (0.53) MAP3K5
SCHEMBL945270 0.85 MAP3K5 (0.52) MAP3K5IRAK4GRM5
SCHEMBL945110 0.85 MAP3K5 (0.44) MAP3K5GRM5
SCHEMBL944181 0.80 MAP3K5 (0.48) MAP3K5
SCHEMBL23699067 0.79 PDE10A (0.39) MAP3K5GRM5
SCHEMBL934523 0.79 IRAK4 (0.48) MAP3K5IRAK4GRM5
SCHEMBL935110 0.78 GRM5 (0.47) MAP3K5IRAK4GRM5

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 52 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
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
EP-3363797-A1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2018-08-22 EP disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 US 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 MAP3K5 16/4885IRAK4 56/4885GRM5 2399/4885
US-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS BRD4, JAK2, JAK1 MAP3K5 105/4885IRAK4 10/4885GRM5 3635/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MAP3K5 16/4885IRAK4 56/4885GRM5 2544/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MAP3K5 16/4885IRAK4 56/4885GRM5 2544/4885

“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.