Sugi Predict

Sugi Predict / Compounds / SCHEMBL8940554

SCHEMBL8940554

SCHEMBL8940554

CC(=O)N1[C@H](C)CN(c2cccc(-c3c[nH]c4ncc(C(=O)N5CCN(C)CC5)cc34)n2)C[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 4/20 0.44
▸ TNIK Q9UKE5 5/20 0.41
▸ IGF1R P08069 2/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ PIM3 Q86V86 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ CDK2 P24941 4/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CDK1 P06493 3/20 0.37
▸ CCNB1 P14635 3/20 0.37
▸ CCNE1 P24864 3/20 0.37
▸ FLT3 P36888 3/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CCNH P51946 2/20 0.37
▸ MNAT1 P51948 2/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ROCK1 Q13464 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
SCHEMBL8940381 0.93 MAP3K11 (0.42) MAP3K11TNIKPIM1PIM3PIM2
SCHEMBL8940545 0.93 MAP3K11 (0.42) MAP3K11TNIKPIM1PIM3PIM2
SCHEMBL8940593 0.92 MAP3K11 (0.46) MAP3K11TNIKPIM1PIM3PIM2
SCHEMBL8940519 0.91 NTRK1 (0.44) MAP3K11PIM1PIM3PIM2CCNT1
SCHEMBL8940349 0.89 MAP3K11 (0.39) MAP3K11PIM1PIM3PIM2CDK2
SCHEMBL8940498 0.87 AXL (0.41) MAP3K11PIM1PIM3CDK2CDK1
SCHEMBL8940600 0.86 DYRK1A (0.43) MAP3K11TNIKROCK1
SCHEMBL8940272 0.86 NEK1 (0.44) MAP3K11PIM1PIM3PIM2
SCHEMBL1038656 0.86 NEK1 (0.44) MAP3K11PIM1PIM3PIM2
SCHEMBL8940530 0.85 ABL1 (0.40) MAP3K11TNIKIGF1RPIM1PIM3

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 14 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-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 MAP3K11 56/4885TNIK 68/4885IGF1R 2373/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 MAP3K11 56/4885TNIK 68/4885IGF1R 2373/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 MAP3K11 56/4885TNIK 68/4885IGF1R 2373/4885

“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.