SCHEMBL5823567

SCHEMBL5823567

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.65
BRAF P15056 11/20 0.48
MAPK13 O15264 2/20 0.47
LIMK1 P53667 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
TLR8 Q9NR97 1/20 0.46
MAPK9 P45984 1/20 0.43
DYRK1A Q13627 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
PIM1 P11309 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAP2K1 Q02750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42

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
SCHEMBL5823565 1.00 CDKN1A (0.65) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5813356 0.92 CDKN1A (0.66) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5813348 0.92 CDKN1A (0.66) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5823702 0.90 CDKN1A (0.71) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5811208 0.89 CDKN1A (0.66) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5946521 0.89 CDKN1A (0.63) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5946522 0.89 CDKN1A (0.63) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5821303 0.88 CDKN1A (0.69) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5813745 0.87 CDKN1A (0.57) CDKN1ABRAFMAPK13LIMK1MARK2
SCHEMBL5813753 0.87 CDKN1A (0.57) CDKN1ABRAFMAPK13LIMK1MARK2

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
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 523/4885MAPK13 1727/4885

“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.