SCHEMBL6602104

SCHEMBL6602104

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MET P08581 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6800862 0.95 NLRP3 (0.43) NLRP3MAPTALDH1A1GCGRGIPR
SCHEMBL6614237 0.92 MRGPRX4 (0.45) MAPTALDH1A1GCGRGIPRMEN1
SCHEMBL6602303 0.91 MAPK1 (0.39) MAPTALDH1A1GCGRGIPRMEN1
SCHEMBL6602643 0.90 KMT2A (0.44) NLRP3MAPTALDH1A1GCGRGIPR
SCHEMBL6600968 0.90 MEN1 (0.43) NLRP3MAPTALDH1A1GCGRGIPR
SCHEMBL6601520 0.89 NLRP3 (0.42) NLRP3MAPTALDH1A1GCGRGIPR
SCHEMBL6601993 0.88 MEN1 (0.41) NLRP3MAPTALDH1A1GCGRGIPR
SCHEMBL6607403 0.88 NLRP3 (0.43) NLRP3MAPTALDH1A1GCGRGIPR
SCHEMBL6601799 0.88 MAPT (0.42) NLRP3MAPTALDH1A1GCGRGIPR
SCHEMBL6804559 0.86 TP53 (0.43) MAPTGCGRGIPRHSD17B10MRGPRX4

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 NLRP3 1134/4885MAPT 3013/4885ALDH1A1 758/4885

“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.