SCHEMBL5820118

SCHEMBL5820118

O=C(Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.73
CDKN1A P38936 1/20 0.67
RAF1 P04049 1/20 0.60
MAPK14 Q16539 1/20 0.60

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
SCHEMBL5800515 0.90 CDKN1A (0.66) BRAFCDKN1A
SCHEMBL5799638 0.90 CDKN1A (0.70) BRAFCDKN1A
SCHEMBL5807557 0.89 CDKN1A (0.74) BRAFCDKN1A
SCHEMBL5820168 0.88 KDM4E (0.70) BRAFCDKN1A
SCHEMBL5946498 0.88 CDKN1A (0.70) BRAFCDKN1A
SCHEMBL5797973 0.88 CDKN1A (0.70) BRAFCDKN1A
SCHEMBL5796947 0.88 CDKN1A (0.74) BRAFCDKN1A
SCHEMBL5799647 0.88 CDKN1A (0.69) BRAFCDKN1A
SCHEMBL4656688 0.87 BRAF (0.84) BRAFRAF1MAPK14
SCHEMBL5808894 0.87 CDKN1A (0.79) BRAFCDKN1A

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 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
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 BRAF 214/4885CDKN1A 28/4885RAF1 343/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS BRAF 523/4885CDKN1A 89/4885RAF1 1037/4885

“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.