SCHEMBL5268016

SCHEMBL5268016

Cc1[nH]nc(-c2ccc(C#N)cc2)c1-c1ccc2c(c1)OCCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.60
MAPT P10636 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSP90AB1 P08238 1/20 0.55
MET P08581 1/20 0.55
PIM1 P11309 1/20 0.55
LTK P29376 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
AURKA O14965 1/20 0.43
KIT P10721 1/20 0.43
TP53 P04637 1/20 0.43
TGFBR1 P36897 3/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL5269711 0.89 HSP90AA1 (0.55) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL14456102 0.86 HSP90AA1 (0.66) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL14456069 0.85 HSP90AA1 (0.65) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL14456150 0.80 HSP90AA1 (0.61) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL14396177 0.80 HSP90AA1 (0.61) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL14396346 0.79 HSP90AA1 (0.61) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL5267953 0.79 HSP90AA1 (0.60) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL14456101 0.79 HSP90AA1 (0.60) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL14396179 0.79 HSP90AA1 (0.61) HSP90AA1MAPTMEN1KMT2AHSP90AB1
SCHEMBL14456070 0.77 HSP90AA1 (0.55) HSP90AA1MAPTMEN1KMT2AHSP90AB1

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 7 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
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-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 HSP90AA1 2/4885MAPT 4683/4885MEN1 4797/4885

“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.