SCHEMBL5807399

SCHEMBL5807399

O=C(c1cccs1)c1cnn2c(-c3cccc(NCCc4ccccc4)c3)ccnc12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.66
MAPK9 P45984 1/20 0.46
DYRK1A Q13627 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
MAPK13 O15264 2/20 0.45
PIM1 P11309 1/20 0.45
MARK2 Q7KZI7 2/20 0.45
LIMK1 P53667 1/20 0.45
BRAF P15056 9/20 0.45
MAP2K1 Q02750 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
PDPK1 O15530 1/20 0.43
PRKCZ Q05513 1/20 0.43
EPHA2 P29317 1/20 0.43
GSK3A P49840 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TLR8 Q9NR97 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
SCHEMBL5812345 0.91 CDKN1A (0.68) CDKN1AMAPK9DYRK1AIRAK4MAPK13
SCHEMBL5810669 0.90 CDKN1A (0.67) CDKN1AMAPK9DYRK1AIRAK4MAPK13
SCHEMBL5821303 0.89 CDKN1A (0.69) CDKN1AMAPK13PIM1MARK2LIMK1
SCHEMBL5823326 0.87 CDKN1A (0.67) CDKN1AMAPK13PIM1MARK2LIMK1
SCHEMBL5946519 0.87 CDKN1A (0.62) CDKN1AMAPK9DYRK1AIRAK4MAPK13
SCHEMBL5823702 0.87 CDKN1A (0.71) CDKN1AMAPK13PIM1MARK2LIMK1
SCHEMBL5946420 0.86 CDKN1A (0.71) CDKN1AMAPK9DYRK1AIRAK4MAPK13
SCHEMBL6071405 0.86 CDKN1A (0.66) CDKN1AMAPK13PIM1MARK2LIMK1
SCHEMBL5818283 0.86 CDKN1A (0.66) CDKN1AMAPK13PIM1BRAFKDM4E
SCHEMBL5810673 0.86 CDKN1A (0.61) CDKN1AMAPK13PIM1MARK2LIMK1

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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US 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

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 28/4885MAPK9 759/4885DYRK1A 1065/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885MAPK9 1775/4885DYRK1A 1162/4885

“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.