SCHEMBL5812342

SCHEMBL5812342

O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.68
MAPK13 O15264 2/20 0.49
PIM1 P11309 1/20 0.49
BRAF P15056 11/20 0.49
MGLL Q99685 1/20 0.48
MAPK9 P45984 1/20 0.46
DYRK1A Q13627 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
EPHA2 P29317 1/20 0.45
GSK3A P49840 1/20 0.45
LIMK1 P53667 1/20 0.45
MARK2 Q7KZI7 1/20 0.45
ENPP2 Q13822 1/20 0.45

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
SCHEMBL5807610 0.95 CDKN1A (0.68) CDKN1AMAPK13PIM1BRAFMGLL
SCHEMBL5800105 0.93 CDKN1A (0.65) CDKN1AMAPK13PIM1BRAF
SCHEMBL5946449 0.92 CDKN1A (0.62) CDKN1AMAPK13PIM1BRAFMAPK9
SCHEMBL5796621 0.91 CDKN1A (0.66) CDKN1AMAPK13PIM1BRAFLIMK1
SCHEMBL6071259 0.89 CDKN1A (0.71) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5807978 0.88 CDKN1A (0.71) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5797698 0.88 CDKN1A (0.69) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5946420 0.88 CDKN1A (0.71) CDKN1AMAPK13PIM1BRAFMAPK9
SCHEMBL5823330 0.87 CDKN1A (0.68) CDKN1AMAPK13PIM1BRAFEPHA2
SCHEMBL5810554 0.87 CDKN1A (0.68) CDKN1AMAPK13PIM1BRAFMAPK9

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 6 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 claimed
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-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO 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 28/4885MAPK13 1171/4885PIM1 586/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885MAPK13 1727/4885PIM1 797/4885

“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.