SCHEMBL5813951

SCHEMBL5813951

CC(C)CC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn23)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.55
GSK3A P49840 4/20 0.40
MAPK13 O15264 3/20 0.40
LIMK1 P53667 2/20 0.40
MARK2 Q7KZI7 2/20 0.40
EPHA2 P29317 1/20 0.40
TLR8 Q9NR97 1/20 0.39
PIM1 P11309 5/20 0.38
MAPK9 P45984 2/20 0.38
MAP2K1 Q02750 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
DYRK1A Q13627 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
AKT1 P31749 2/20 0.38
PIM3 Q86V86 2/20 0.38
DAPK3 O43293 1/20 0.37
NEK2 P51955 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
BRAF P15056 4/20 0.37

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
SCHEMBL5813181 0.86 CDKN1A (0.58) CDKN1AGSK3AMAPK13LIMK1MARK2
SCHEMBL5799453 0.85 CDKN1A (0.49) CDKN1AGSK3AMAPK13LIMK1MARK2
SCHEMBL5800567 0.85 CDKN1A (0.55) CDKN1AGSK3AMAPK13LIMK1MARK2
SCHEMBL5812681 0.84 CDKN1A (0.55) CDKN1AGSK3AMAPK13LIMK1MARK2
SCHEMBL5812735 0.84 CDKN1A (0.55) CDKN1AGSK3AMAPK13LIMK1MARK2
SCHEMBL5800399 0.83 CDKN1A (0.53) CDKN1AGSK3AMAPK13LIMK1TLR8
SCHEMBL6072063 0.82 CDKN1A (0.64) CDKN1AMAPK13TLR8PIM1BRAF
SCHEMBL5807294 0.81 CDKN1A (0.66) CDKN1AGSK3AMAPK13EPHA2TLR8
SCHEMBL5798411 0.81 CDKN1A (0.53) CDKN1AGSK3AMAPK13LIMK1MARK2
SCHEMBL5807779 0.80 CDKN1A (0.60) CDKN1AGSK3AMAPK13LIMK1MARK2

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
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO claimed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US claimed
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
WO-2006027474-A2 NOVEL IMIDAZOPYRIDINE DERIVATIVES HAVING AN AFFINITY WITH RESPECT TO MELATONIN RECEPTORS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES LES LABORATOIRES SERVIER (FR) 2006-03-16 WO 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 (2 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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS CDKN1A 28/4885GSK3A 3144/4885MAPK13 1171/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885GSK3A 2702/4885MAPK13 1727/4885

“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.