SCHEMBL5800283

SCHEMBL5800283

O=C(Nc1ccc(Cl)c(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.55
BRAF P15056 2/20 0.49
EPHA2 P29317 1/20 0.47
GSK3A P49840 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK9 P45984 1/20 0.44
DYRK1A Q13627 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK13 O15264 3/20 0.43
PIM1 P11309 1/20 0.43
LIMK1 P53667 1/20 0.43
MARK2 Q7KZI7 1/20 0.43

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
SCHEMBL5797736 0.86 CDKN1A (0.53) CDKN1ABRAFEPHA2GSK3ARAB9A
SCHEMBL5807557 0.85 CDKN1A (0.74) CDKN1ABRAFEPHA2GSK3AKCNK3
SCHEMBL5809416 0.85 CDKN1A (0.57) CDKN1ABRAFEPHA2GSK3ANPC1
SCHEMBL5798411 0.84 CDKN1A (0.53) CDKN1ABRAFEPHA2GSK3ARAB9A
SCHEMBL5807901 0.84 CDKN1A (0.52) CDKN1ABRAFEPHA2GSK3ANPC1
SCHEMBL5812241 0.82 CDKN1A (0.52) CDKN1ABRAFEPHA2GSK3ANPC1
SCHEMBL5799647 0.82 CDKN1A (0.69) CDKN1ABRAFEPHA2GSK3AKCNK3
SCHEMBL5808157 0.82 CDKN1A (0.69) CDKN1ABRAFMAPK13PIM1
SCHEMBL5808822 0.81 CDKN1A (0.71) CDKN1ABRAFEPHA2GSK3AMAPK13
SCHEMBL5808794 0.80 CDKN1A (0.77) CDKN1ABRAFEPHA2GSK3AMAPK9

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 5 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-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 (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 28/4885BRAF 214/4885EPHA2 4266/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885BRAF 523/4885EPHA2 4496/4885

“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.