SCHEMBL5796875

SCHEMBL5796875

Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.67
TLR8 Q9NR97 1/20 0.53
MAP2K1 Q02750 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
KDM4E B2RXH2 3/20 0.51
PIM1 P11309 4/20 0.42
MAPK13 O15264 2/20 0.42
GSK3A P49840 3/20 0.42
EPHA2 P29317 1/20 0.42
AKT1 P31749 1/20 0.42
PIM3 Q86V86 1/20 0.42
BTK Q06187 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LIMK1 P53667 2/20 0.40
MAPK9 P45984 1/20 0.40
DYRK1A Q13627 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
BRAF P15056 1/20 0.40
CDK1 P06493 1/20 0.40

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
Hydrochloric Acid SCHEMBL5810516 0.99 CDKN1A (0.66) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL5823666 0.98 CDKN1A (0.67) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL5807609 0.88 CDKN1A (0.67) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL5821447 0.88 CDKN1A (0.67) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL5823332 0.88 CDKN1A (0.67) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL5946519 0.87 CDKN1A (0.62) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL5808667 0.87 CDKN1A (0.66) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL5807779 0.86 CDKN1A (0.60) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL5808941 0.86 CDKN1A (0.65) CDKN1ATLR8MAP2K1CLK4DYRK1B
SCHEMBL6071254 0.85 TLR8 (0.53) CDKN1ATLR8MAP2K1CLK4DYRK1B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028045-A1 Processes for the Preparation of Indiplon and Intermediates Thereof GLENMARK GENERICS LTD (IN) 2012-02-02 US disclosed
US-20120028045-A1 Processes for the Preparation of Indiplon and Intermediates Thereof GLENMARK GENERICS LTD (IN) 2012-02-02 US disclosed
WO-2010109480-A2 PROCESSES FOR THE PREPARATION OF INDIPLON AND INTERMEDIATES THEREOF GLENMARK GENERICS LIMITED (IN) 2010-09-30 WO disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 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-20120028045-A1 Processes for the Preparation of Indiplon and Intermediates Thereof CYP2D6, HLA-B, HLA-DRB1 CDKN1A 1289/4885TLR8 3517/4885MAP2K1 4776/4885
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS CDKN1A 28/4885TLR8 4399/4885MAP2K1 699/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885TLR8 4409/4885MAP2K1 528/4885

“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.