SCHEMBL6604808

SCHEMBL6604808

CCOc1cc(-c2ccc(C(=O)O)cc2)nn1CCOc1ccc(-c2cccs2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
MDM2 Q00987 4/20 0.43
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
TNFRSF1A P19438 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMO O15229 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6613685 0.87 TP53 (0.41) TP53MDM2GCGRGIPRTNFRSF1A
SCHEMBL6612367 0.85 TP53 (0.42) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6602280 0.85 PDE5A (0.42) TP53GCGRGIPRRAB9ANPC1
SCHEMBL6615070 0.85 TP53 (0.41) TP53MDM2GCGRGIPRPDE5A
SCHEMBL6606062 0.85 TP53 (0.46) TP53MDM2GCGRGIPRRAB9A
SCHEMBL6606254 0.85 TP53 (0.47) TP53MDM2RAB9ANPC1NFKB1
SCHEMBL6606542 0.84 TP53 (0.47) TP53MDM2GCGRGIPRRAB9A
SCHEMBL6603996 0.84 TP53 (0.44) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6803407 0.84 TP53 (0.44) TP53MDM2GCGRGIPRALDH1A1
SCHEMBL6615534 0.84 TP53 (0.45) TP53MDM2GCGRGIPRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 TP53 35/4885MDM2 1509/4885GCGR 2460/4885

“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.