Sugi Predict

Sugi Predict / Compounds / SCHEMBL8941676

SCHEMBL8941676

SCHEMBL8941676

CC(=O)N1[C@H](C)CN(c2cccc(-c3c[nH]c4ncc(NC(=O)C5CC5)cc34)n2)C[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.38
▸ FLT3 P36888 7/20 0.37
▸ CDK1 P06493 6/20 0.37
▸ PRKD3 O94806 5/20 0.37
▸ MAP4K4 O95819 5/20 0.37
▸ AXL P30530 5/20 0.37
▸ FLT4 P35916 5/20 0.37
▸ CLK2 P49760 5/20 0.37
▸ MAP4K2 Q12851 5/20 0.37
▸ CAMK2B Q13554 5/20 0.37
▸ CAMK2G Q13555 5/20 0.37
▸ CAMK2D Q13557 5/20 0.37
▸ PTK6 Q13882 5/20 0.37
▸ NTRK3 Q16288 5/20 0.37
▸ PKN2 Q16513 5/20 0.37
▸ MINK1 Q8N4C8 5/20 0.37
▸ PRKD2 Q9BZL6 5/20 0.37
▸ SLK Q9H2G2 5/20 0.37
▸ CLK4 Q9HAZ1 5/20 0.37
▸ MKNK2 Q9HBH9 5/20 0.37

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
SCHEMBL8941339 0.97 ALDH1A1 (0.38) NTRK1FLT3CDK1PRKD3MAP4K4
SCHEMBL8941213 0.96 ALDH1A1 (0.39) NTRK1FLT3CDK1PRKD3MAP4K4
SCHEMBL8940737 0.91 NTRK1 (0.44) NTRK1FLT3CDK1PRKD3MAP4K4
SCHEMBL8940789 0.90 BTK (0.39) NTRK1FLT3CDK1PRKD3MAP4K4
SCHEMBL8940562 0.89 BTK (0.41) NTRK1FLT3CDK1PRKD3MAP4K4
SCHEMBL8941141 0.89 FLT3 (0.38) NTRK1FLT3CDK1PRKD3MAP4K4
SCHEMBL8940785 0.88 BTK (0.39) NTRK1FLT3CDK1PRKD3MAP4K4
SCHEMBL8940851 0.88 BTK (0.48) BTK
SCHEMBL8941173 0.88 BTK (0.37) NTRK1FLT3CDK1PRKD3MAP4K4
SCHEMBL13193443 0.88 ULK1 (0.38) NTRK1FLT3CDK1PRKD3MAP4K4

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 NTRK1 1417/4885FLT3 310/4885CDK1 45/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 NTRK1 1417/4885FLT3 310/4885CDK1 45/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 NTRK1 1417/4885FLT3 310/4885CDK1 45/4885

“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.