Sugi Predict

Sugi Predict / Compounds / SCHEMBL8940711

SCHEMBL8940711

SCHEMBL8940711

CC(=O)N1[C@H](C)CN(c2cccc(-c3c[nH]c4ncc(C(=O)OCC(C)C)cc34)n2)C[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.38
▸ NEK1 Q96PY6 5/20 0.35
▸ BTK Q06187 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ EIF2AK4 Q9P2K8 2/20 0.33
▸ MAP3K11 Q16584 1/20 0.33
▸ GUCY1A1 Q02108 1/20 0.33
▸ GUCY1B1 Q02153 1/20 0.33
▸ SGK1 O00141 2/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33
▸ PIM1 P11309 2/20 0.32
▸ PIM3 Q86V86 2/20 0.32
▸ PIM2 Q9P1W9 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ JMJD6 Q6NYC1 1/20 0.32

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
SCHEMBL8940664 0.91 BTK (0.42) JAK3NEK1BTKITKAXL
SCHEMBL8940371 0.90 JAK3 (0.39) JAK3NEK1BTKAXLEIF2AK4
SCHEMBL1038656 0.89 NEK1 (0.44) JAK3NEK1AXLEIF2AK4MAP3K11
SCHEMBL8940272 0.89 NEK1 (0.44) JAK3NEK1AXLEIF2AK4MAP3K11
SCHEMBL8940367 0.88 BTK (0.43) BTK
SCHEMBL8940498 0.86 AXL (0.41) JAK3NEK1ITKAXLEIF2AK4
SCHEMBL8940600 0.84 DYRK1A (0.43) JAK3EIF2AK4MAP3K11SGK1DYRK1A
SCHEMBL12338423 0.84 JAK3 (0.41) JAK3NEK1BTKAXLSGK1
SCHEMBL8941714 0.84 JAK3 (0.41) JAK3NEK1BTKAXLSGK1
SCHEMBL8940530 0.84 ABL1 (0.40) JAK3NEK1EIF2AK4MAP3K11SGK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 — — US disclosed
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 — — US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 — — US disclosed
US-8987454-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-24 — — US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 — — US disclosed
US-8722889-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-13 — — US disclosed
US-8501446-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-06 — — US disclosed
US-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 — — US disclosed
US-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-11 — — US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 — — US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 — — 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-20120258958-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 JAK3 1/4885NEK1 169/4885BTK 29/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 JAK3 1/4885NEK1 169/4885BTK 29/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 JAK3 1/4885NEK1 169/4885BTK 29/4885

“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.