SCHEMBL6602333

SCHEMBL6602333

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2ccc(C(C)(C)C)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
FABP3 P05413 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
CREBBP Q92793 1/20 0.37
S1PR4 O95977 1/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
MAPT P10636 2/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6602658 0.93 HPGD (0.42) HPGDCREBBPS1PR4GCGRGIPR
SCHEMBL6805954 0.91 MRGPRX4 (0.38) HPGDCREBBPS1PR4PPARDPPARA
SCHEMBL6805998 0.89 HPGD (0.41) HPGDFABP3CREBBPS1PR4GCGR
SCHEMBL6604189 0.87 MAPT (0.43) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6605085 0.86 MRGPRX4 (0.42) HPGDS1PR4PPARDPPARAMAPT
SCHEMBL6604163 0.86 S1PR4 (0.40) HPGDCREBBPS1PR4GCGRGIPR
SCHEMBL6607860 0.85 HPGD (0.40) HPGDCREBBPS1PR4GCGRGIPR
SCHEMBL6603655 0.85 HPGD (0.38) HPGDCREBBPS1PR4PPARDPPARA
SCHEMBL6601481 0.85 CYP11B1 (0.42) HPGDCREBBPS1PR4MAPTCYP2C19
SCHEMBL6601388 0.84 CREBBP (0.38) HPGDCREBBPS1PR4GCGRGIPR

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 HPGD 76/4885FABP3 2344/4885HRH4 738/4885

“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.