SCHEMBL5808751

SCHEMBL5808751

O=C(c1cccs1)c1cnn2c(-c3ccc([N+](=O)[O-])s3)ccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.50
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PKM P14618 1/20 0.43
MAP2K1 Q02750 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALOX5 P09917 1/20 0.35
TLR8 Q9NR97 1/20 0.35
ALDH1A1 P00352 4/20 0.35

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
SCHEMBL5807858 0.84 CDKN1A (0.53) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5807985 0.83 CDKN1A (0.56) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5821452 0.83 CDKN1A (0.58) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5800073 0.80 CDKN1A (0.63) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5807812 0.77 CDKN1A (0.51) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5812391 0.77 CDKN1A (0.56) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5797341 0.77 CDKN1A (0.49) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5813246 0.76 CDKN1A (0.48) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5819738 0.76 CDKN1A (0.50) CDKN1AMEN1KMT2ANPC1RAB9A
SCHEMBL5807779 0.76 CDKN1A (0.60) CDKN1AMEN1KMT2ANPC1RAB9A

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 28/4885MEN1 2019/4885KMT2A 2596/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885MEN1 2653/4885KMT2A 2890/4885

“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.