SCHEMBL944100

SCHEMBL944100

O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2ccnc2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 12/20 0.75
CD38 P28907 3/20 0.48
S1PR1 P21453 1/20 0.46
CBLB Q13191 2/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.41
MYLK Q15746 1/20 0.40

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
SCHEMBL943739 0.87 MAP3K5 (0.81) MAP3K5CBLBGAALMNA
SCHEMBL946447 0.87 MAP3K5 (0.81) MAP3K5CBLBGAALMNA
SCHEMBL945071 0.86 MAP3K5 (0.83) MAP3K5CBLB
SCHEMBL945832 0.85 MAP3K5 (1.00) MAP3K5
SCHEMBL29473528 0.85 MAP3K5 (1.00) MAP3K5
SCHEMBL943644 0.85 MAP3K5 (0.69) MAP3K5S1PR1CBLBGAALMNA
SCHEMBL935181 0.85 MAP3K5 (0.69) MAP3K5S1PR1CBLBGAALMNA
SCHEMBL943988 0.84 MAP3K5 (0.69) MAP3K5CBLBGAALMNAMYLK
SCHEMBL945496 0.84 MAP3K5 (0.77) MAP3K5CBLB
SCHEMBL944438 0.84 MAP3K5 (0.77) MAP3K5CBLBGAALMNA

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-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 US claimed
CN-102482257-A Apoptosis signal-modulating kinase inhibitors GILEAD SCIENCES INC 2012-05-30 CN claimed
EP-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP claimed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO 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-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
CN-102482257-A Apoptosis signal-modulating kinase inhibitors GILEAD SCIENCES INC 2012-05-30 CN 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 (3 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 16/4885CD38 1399/4885S1PR1 893/4885
US-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS BRD4, JAK2, JAK1 MAP3K5 105/4885CD38 1507/4885S1PR1 1159/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MAP3K5 16/4885CD38 1413/4885S1PR1 929/4885

“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.