SCHEMBL6600968

SCHEMBL6600968

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NLRP3 Q96P20 2/20 0.43
POLB P06746 4/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GCGR P47871 1/20 0.40
GIPR P48546 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.39
S1PR4 O95977 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL6601520 0.92 NLRP3 (0.42) MEN1KMT2ANLRP3POLBMAPT
SCHEMBL6602643 0.91 KMT2A (0.44) MEN1KMT2ANLRP3POLBMAPT
SCHEMBL6606062 0.91 TP53 (0.46) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL6602104 0.90 NLRP3 (0.44) MEN1KMT2ANLRP3POLBMAPT
SCHEMBL6602395 0.90 MAPT (0.42) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL6800862 0.88 NLRP3 (0.43) MEN1KMT2ANLRP3POLBMAPT
SCHEMBL6607403 0.88 NLRP3 (0.43) MEN1KMT2ANLRP3POLBMAPT
SCHEMBL6601799 0.88 MAPT (0.42) MEN1KMT2ANLRP3POLBMAPT
SCHEMBL6605097 0.88 NLRP3 (0.39) MEN1KMT2ANLRP3POLBMAPT
SCHEMBL6601993 0.87 MEN1 (0.41) MEN1KMT2ANLRP3POLBMAPT

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 MEN1 2036/4885KMT2A 2911/4885NLRP3 1134/4885

“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.