SCHEMBL944619

SCHEMBL944619

NC(=O)c1ncccc1-n1cnc2cnccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.51
▸ TGFBR1 P36897 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ F7 P08709 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ SARM1 Q6SZW1 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ SIRT4 Q9Y6E7 1/20 0.37
▸ MKNK1 Q9BUB5 3/20 0.37
▸ MKNK2 Q9HBH9 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DYRK1A Q13627 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
SCHEMBL945052 0.77 TP53 (0.44) IRAK4
SCHEMBL945137 0.77 MYC (0.38) FGFR1MKNK1MKNK2ALDH1A1LMNA
SCHEMBL5534868 0.77 FGFR1 (0.44) FGFR1JAK2JAK3SIRT3MKNK1
SCHEMBL16035814 0.76 FGFR1 (0.67) FGFR1TGFBR1JAK2JAK3MKNK1
SCHEMBL29547715 0.75 FGFR1 (0.61) FGFR1MKNK1MKNK2DYRK1ACYP17A1
SCHEMBL945426 0.71 CYP2A6 (0.41) ALDH1A1LMNAIRAK4MYC
SCHEMBL946421 0.71 ALDH1A1 (0.55) MKNK1MKNK2ALDH1A1LMNAHPGD
SCHEMBL8560640 0.70 FGFR1 (0.59) FGFR1TGFBR1JAK2JAK3MKNK1
SCHEMBL5030414 0.70 FGFR1 (0.46) FGFR1F7F3SARM1SIRT2
SCHEMBL5534866 0.70 FGFR1 (0.48) FGFR1JAK2JAK3MKNK2ALDH1A1

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 11 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
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
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 FGFR1 1560/4885TGFBR1 911/4885JAK2 267/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FGFR1 1560/4885TGFBR1 911/4885JAK2 267/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 FGFR1 1742/4885TGFBR1 869/4885JAK2 279/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FGFR1 1560/4885TGFBR1 911/4885JAK2 267/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 FGFR1 1402/4885TGFBR1 835/4885JAK2 229/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FGFR1 1560/4885TGFBR1 911/4885JAK2 267/4885

“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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