SCHEMBL6603655

SCHEMBL6603655

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2ccc(Cl)c(F)c2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CREBBP Q92793 1/20 0.38
S1PR4 O95977 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARD Q03181 3/20 0.35
PPARA Q07869 1/20 0.35
CXCR3 P49682 1/20 0.35
FAAH O00519 1/20 0.35
TP53 P04637 3/20 0.35
MDM2 Q00987 2/20 0.35
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6607860 0.94 HPGD (0.40) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6805998 0.92 HPGD (0.41) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6602658 0.92 HPGD (0.42) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6804785 0.89 TP53 (0.38) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6604163 0.87 S1PR4 (0.40) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6805954 0.87 MRGPRX4 (0.38) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6604189 0.86 MAPT (0.43) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6602333 0.85 HPGD (0.38) HPGDCREBBPS1PR4MAPTRAB9A
SCHEMBL6601481 0.85 CYP11B1 (0.42) HPGDCREBBPS1PR4MAPTL3MBTL1
SCHEMBL6809196 0.85 TP53 (0.46) MAPTTP53MDM2GCGRGIPR

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 76/4885CREBBP 1352/4885S1PR4 2513/4885

“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.