SCHEMBL6600937

SCHEMBL6600937

CCOc1cc(-c2ccc(C(=O)OC)cc2)nn1CCOc1ccc(-c2ccccc2F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
MDM2 Q00987 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NLRP3 Q96P20 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
CTSA P10619 1/20 0.36
POLB P06746 1/20 0.36
PDE4B Q07343 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL6809221 0.92 MEN1 (0.41) TP53MDM2MEN1KMT2ANLRP3
SCHEMBL6805285 0.92 TP53 (0.49) TP53MDM2KMT2AALDH1A1MAPT
SCHEMBL6804100 0.91 NLRP3 (0.39) TP53MDM2MEN1KMT2ANLRP3
SCHEMBL6607403 0.90 NLRP3 (0.43) TP53MEN1KMT2ANLRP3ALDH1A1
SCHEMBL6804785 0.89 TP53 (0.38) TP53MDM2KMT2AALDH1A1MAPT
SCHEMBL6601993 0.87 MEN1 (0.41) TP53MDM2MEN1KMT2ANLRP3
SCHEMBL6602643 0.85 KMT2A (0.44) TP53MDM2MEN1KMT2ANLRP3
SCHEMBL6600968 0.85 MEN1 (0.43) TP53MEN1KMT2ANLRP3ALDH1A1
SCHEMBL6800862 0.85 NLRP3 (0.43) MEN1KMT2ANLRP3ALDH1A1MAPT
SCHEMBL6601799 0.85 MAPT (0.42) TP53MDM2MEN1KMT2ANLRP3

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 1509/4885MEN1 2036/4885

“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.