SCHEMBL8940349

SCHEMBL8940349

CC(=O)N1[C@H](C)CN(c2cccc(-c3c[nH]c4ncc(C(=O)N5C[C@@H](C)N[C@@H](C)C5)cc34)n2)C[C@@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.39
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
FLT3 P36888 2/20 0.34
JAK3 P52333 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
HDAC1 Q13547 1/20 0.34
PIM1 P11309 4/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
PIM3 Q86V86 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL8940593 0.91 MAP3K11 (0.46) MAP3K11CDK1CCNB1CCNE1CDK2
SCHEMBL8940545 0.90 MAP3K11 (0.42) MAP3K11CDK1CCNB1CCNE1CDK2
SCHEMBL8940381 0.90 MAP3K11 (0.42) MAP3K11CDK1CCNB1CCNE1CDK2
SCHEMBL8940554 0.89 MAP3K11 (0.44) MAP3K11CDK1CCNB1CCNE1CDK2
SCHEMBL8940519 0.89 NTRK1 (0.44) MAP3K11FLT3PIM1PIM3PIM2
SCHEMBL8940498 0.88 AXL (0.41) MAP3K11CDK1CDK2FLT3JAK3
SCHEMBL1038656 0.86 NEK1 (0.44) MAP3K11JAK3PIM1EIF2AK4PIM3
SCHEMBL8940600 0.86 DYRK1A (0.43) MAP3K11JAK3EIF2AK4SGK1
SCHEMBL8940272 0.86 NEK1 (0.44) MAP3K11JAK3PIM1EIF2AK4PIM3
SCHEMBL8940530 0.86 ABL1 (0.40) MAP3K11JAK3PIM1EIF2AK4PIM3

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 9 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-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-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-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 56/4885CDK1 45/4885CCNB1 1180/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 MAP3K11 56/4885CDK1 45/4885CCNB1 1180/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 MAP3K11 56/4885CDK1 45/4885CCNB1 1180/4885

“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.