SCHEMBL5820142

SCHEMBL5820142

CC(CCNc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)CC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.60
BRAF P15056 16/20 0.45
KDM4E B2RXH2 1/20 0.42
TLR8 Q9NR97 1/20 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
SCHEMBL6071405 0.90 CDKN1A (0.66) CDKN1ABRAFTLR8
SCHEMBL5818283 0.89 CDKN1A (0.66) CDKN1ABRAFKDM4ETLR8
SCHEMBL5798282 0.88 CDKN1A (0.47) CDKN1ABRAFKDM4E
SCHEMBL5809479 0.88 CDKN1A (0.65) CDKN1ABRAF
SCHEMBL5810673 0.87 CDKN1A (0.61) CDKN1ABRAFTLR8
SCHEMBL5821303 0.86 CDKN1A (0.69) CDKN1ABRAFKDM4ETLR8
SCHEMBL5822254 0.85 CDKN1A (0.68) CDKN1ABRAFKDM4ETLR8
SCHEMBL5819950 0.85 CDKN1A (0.63) CDKN1ABRAFTLR8
SCHEMBL5819830 0.85 CDKN1A (0.65) CDKN1ABRAFTLR8
SCHEMBL5823326 0.85 CDKN1A (0.67) CDKN1ABRAFKDM4ETLR8

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-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH 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
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885BRAF 523/4885KDM4E 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.