Sugi Predict

Sugi Predict / Compounds / SCHEMBL8940893

SCHEMBL8940893

SCHEMBL8940893

CC(=O)N1CCCN(c2cccc(-c3c[nH]c4ncc(C(=O)O)cc34)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 5/20 0.52
▸ CDK1 P06493 3/20 0.52
▸ CCNB1 P14635 3/20 0.52
▸ CCNE1 P24864 2/20 0.52
▸ CDK2 P24941 2/20 0.52
▸ CDK7 P50613 1/20 0.52
▸ CCNH P51946 1/20 0.52
▸ MNAT1 P51948 1/20 0.52
▸ PIM2 Q9P1W9 4/20 0.45
▸ MAP3K11 Q16584 2/20 0.45
▸ PIM1 P11309 4/20 0.41
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ AXL P30530 3/20 0.40
▸ PIM3 Q86V86 2/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL8940422 0.89 FLT3 (0.53) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8940529 0.88 FLT3 (0.53) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8941040 0.87 FLT3 (0.55) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8940771 0.87 FLT3 (0.51) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8942163 0.84 FLT3 (0.48) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8941185 0.84 FLT3 (0.53) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8940958 0.84 FLT3 (0.53) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8940883 0.83 PSMD14 (0.45) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8940859 0.83 CDK1 (0.44) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL8940498 0.81 AXL (0.41) FLT3CDK1CDK2MAP3K11PIM1

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 FLT3 310/4885CDK1 45/4885CCNB1 1180/4885
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 FLT3 310/4885CDK1 45/4885CCNB1 1180/4885
US-20150152103-A1 AZAINDOLES USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES JAK3, JAK2, JAK1 FLT3 310/4885CDK1 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.