SCHEMBL945364

SCHEMBL945364

Cc1c(-c2cccnc2)ccnc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.52
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MKNK1 Q9BUB5 8/20 0.50
▸ MKNK2 Q9HBH9 8/20 0.50
▸ CYP2A6 P11509 3/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ CHEK2 O96017 1/20 0.45
▸ F7 P08709 1/20 0.45
▸ F3 P13726 1/20 0.45
▸ SARM1 Q6SZW1 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45

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
SCHEMBL30423145 0.86 ADORA2A (0.45) IKBKBLMNAMKNK1MKNK2
SCHEMBL944217 0.83 MKNK1 (0.51) IKBKBCYP1A2CYP3A4LMNACYP2C19
SCHEMBL945200 0.83 MKNK1 (0.51) IKBKBCYP1A2CYP3A4LMNACYP2C19
SCHEMBL30640137 0.83 CCNC (0.53) MKNK1MKNK2CHEK2SIRT3
SCHEMBL945261 0.81 MKNK1 (0.47) IKBKBCYP1A2CYP3A4LMNACYP2C19
SCHEMBL944046 0.81 MKNK1 (0.47) IKBKBCYP1A2CYP3A4LMNACYP2C19
SCHEMBL946827 0.81 MKNK1 (0.47) IKBKBCYP1A2CYP3A4LMNACYP2C19
SCHEMBL944530 0.81 MKNK1 (0.47) IKBKBCYP1A2CYP3A4LMNACYP2C19
SCHEMBL233227 0.81 MKNK1 (0.53) IKBKBCYP1A2CYP3A4LMNACYP2C19
SCHEMBL29594571 0.81 MKNK1 (0.56) IKBKBCYP1A2CYP3A4LMNACYP2C19

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-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 — — US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 — — US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 — — US disclosed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 — — US disclosed
CN-102958917-B Compositions and methods for modulating the wnt signaling pathway IRM LLC (BM) 2014-10-08 — — CN disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 — — US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 — — US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 — — US disclosed
CN-102958917-A Compositions and methods for modulating the wnt signaling pathway IRM LLC 2013-03-06 — — CN disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 — — US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 — — 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 (6 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CYP1A2 3871/4885CYP3A4 3926/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CYP1A2 3871/4885CYP3A4 3926/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 IKBKB 149/4885CYP1A2 3806/4885CYP3A4 3824/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CYP1A2 3871/4885CYP3A4 3926/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 IKBKB 163/4885CYP1A2 3578/4885CYP3A4 3618/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IKBKB 169/4885CYP1A2 3871/4885CYP3A4 3926/4885

“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.

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