SCHEMBL5268022

SCHEMBL5268022

Cc1[nH]nc(-c2ccc(C#N)cc2)c1C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL5269715 0.89 LRRK2 (0.35) LRRK2
SCHEMBL5267956 0.83 LRRK2 (0.41) LRRK2
SCHEMBL5273461 0.81 MET (0.35) CHEK1LRRK2
SCHEMBL5267152 0.80 HSP90AA1 (0.38)
SCHEMBL5269531 0.80 KDM4E (0.42)
SCHEMBL5266777 0.76 HSP90AA1 (0.33)
SCHEMBL5274678 0.76 HSP90AA1 (0.33)
SCHEMBL5271929 0.75 HSP90AA1 (0.47)
SCHEMBL5272531 0.75 CHEK1 (0.40) CHEK1LRRK2
SCHEMBL5272249 0.74 MEN1 (0.39)

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
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 US disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 EP disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 WO 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-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P CHEK1 1440/4885LRRK2 3042/4885

“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.