SCHEMBL944990

SCHEMBL944990

O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2nnc3ccccc32)ccn1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 10/20 0.66
CBLB Q13191 6/20 0.43
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CLK1 P49759 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MYLK Q15746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL945381 0.88 MAP3K5 (0.68) MAP3K5CBLBLMNAGAASMN1; SMN2
SCHEMBL943988 0.83 MAP3K5 (0.69) MAP3K5CBLBLMNAGAACLK1
SCHEMBL952626 0.82 MAP3K5 (0.67) MAP3K5CBLBLMNAGAASMN1; SMN2
SCHEMBL947087 0.82 MAP3K5 (0.70) MAP3K5CBLBLMNAGAA
SCHEMBL945360 0.82 MAP3K5 (0.66) MAP3K5CBLBLMNAGAACLK1
SCHEMBL944325 0.82 MAP3K5 (0.66) MAP3K5CBLBLMNAGAA
SCHEMBL945071 0.82 MAP3K5 (0.83) MAP3K5CBLB
SCHEMBL944100 0.81 MAP3K5 (0.75) MAP3K5CBLBLMNAGAAMYLK
SCHEMBL944268 0.81 MAP3K5 (0.65) MAP3K5CBLBLMNAGAAMYLK
SCHEMBL943644 0.81 MAP3K5 (0.69) MAP3K5CBLBLMNAGAACLK1

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
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
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 (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 16/4885CBLB 3791/4885LMNA 1002/4885
US-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS BRD4, JAK2, JAK1 MAP3K5 105/4885CBLB 1011/4885LMNA 4226/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MAP3K5 16/4885CBLB 3677/4885LMNA 1056/4885

“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.