SCHEMBL5808941

SCHEMBL5808941

N#Cc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.65
TLR8 Q9NR97 1/20 0.49
KDM4E B2RXH2 6/20 0.47
CLK4 Q9HAZ1 2/20 0.47
MAP2K1 Q02750 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
MAPK1 P28482 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
AOX1 Q06278 1/20 0.44
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PIM1 P11309 3/20 0.41
MAPK13 O15264 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
GSK3A P49840 2/20 0.41

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
SCHEMBL5823332 0.86 CDKN1A (0.67) CDKN1ATLR8KDM4ECLK4MAP2K1
SCHEMBL5821447 0.86 CDKN1A (0.67) CDKN1ATLR8KDM4ECLK4MAP2K1
SCHEMBL5796875 0.86 CDKN1A (0.67) CDKN1ATLR8KDM4ECLK4MAP2K1
SCHEMBL5807609 0.86 CDKN1A (0.67) CDKN1ATLR8KDM4ECLK4MAP2K1
SCHEMBL1873660 0.85 CDKN1A (0.54) CDKN1ATLR8KDM4ECLK4MAP2K1
SCHEMBL5808667 0.85 CDKN1A (0.66) CDKN1ATLR8KDM4ECLK4MAP2K1
Hydrochloric Acid SCHEMBL5810516 0.85 CDKN1A (0.66) CDKN1ATLR8KDM4ECLK4MAP2K1
SCHEMBL5823666 0.84 CDKN1A (0.67) CDKN1ATLR8KDM4ECLK4MAP2K1
SCHEMBL5797489 0.84 CDKN1A (0.72) CDKN1ATLR8PIM1MAPK13GSK3A
SCHEMBL5821477 0.83 CDKN1A (0.72) CDKN1ATLR8KDM4ECLK4MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 28/4885TLR8 4399/4885KDM4E 1967/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885TLR8 4409/4885KDM4E 2705/4885

“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.