Sugi Predict

Sugi Predict / Compounds / SCHEMBL8940422

SCHEMBL8940422

SCHEMBL8940422

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 5/20 0.53
▸ CDK1 P06493 3/20 0.53
▸ CCNB1 P14635 3/20 0.53
▸ CDK2 P24941 3/20 0.53
▸ CCNE1 P24864 2/20 0.53
▸ CDK7 P50613 1/20 0.53
▸ CCNH P51946 1/20 0.53
▸ MNAT1 P51948 1/20 0.53
▸ PIM2 Q9P1W9 1/20 0.45
▸ MAP3K11 Q16584 2/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ EIF2AK4 Q9P2K8 1/20 0.42
▸ CNR1 P21554 2/20 0.41
▸ SMO Q99835 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ IGF1R P08069 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL8940529 0.90 FLT3 (0.53) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL8940893 0.89 FLT3 (0.52) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL8941040 0.88 FLT3 (0.55) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL8940771 0.88 FLT3 (0.51) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL8942163 0.86 FLT3 (0.48) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL8941185 0.85 FLT3 (0.53) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL8940958 0.85 FLT3 (0.53) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL15702425 0.85 PIM1 (0.49) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL8940547 0.81 CDK1 (0.44) FLT3CDK1CCNB1CDK2CCNE1
SCHEMBL8940580 0.81 SMO (0.43) FLT3CDK1CCNB1CDK2CCNE1

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.