SCHEMBL6607860

SCHEMBL6607860

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
S1PR4 O95977 1/20 0.39
CREBBP Q92793 1/20 0.38
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
ATM Q13315 1/20 0.36
PDE4B Q07343 1/20 0.35
NLRP3 Q96P20 1/20 0.35
FAAH O00519 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
TP53 P04637 3/20 0.35
MDM2 Q00987 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
SCHEMBL6603655 0.94 HPGD (0.38) HPGDS1PR4CREBBPRAB9AL3MBTL1
SCHEMBL6602658 0.92 HPGD (0.42) HPGDS1PR4CREBBPRAB9AL3MBTL1
SCHEMBL6805998 0.90 HPGD (0.41) HPGDS1PR4CREBBPRAB9AL3MBTL1
SCHEMBL6804785 0.89 TP53 (0.38) HPGDS1PR4CREBBPRAB9AL3MBTL1
SCHEMBL6604163 0.87 S1PR4 (0.40) HPGDS1PR4CREBBPRAB9AL3MBTL1
SCHEMBL6805954 0.87 MRGPRX4 (0.38) HPGDS1PR4CREBBPRAB9AL3MBTL1
SCHEMBL6604189 0.86 MAPT (0.43) HPGDS1PR4CREBBPRAB9AL3MBTL1
SCHEMBL6603514 0.86 NLRP3 (0.41) HPGDS1PR4RAB9AL3MBTL1MAPT
SCHEMBL6601481 0.85 CYP11B1 (0.42) HPGDS1PR4CREBBPL3MBTL1MAPT
SCHEMBL6602333 0.85 HPGD (0.38) HPGDS1PR4CREBBPRAB9AL3MBTL1

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 76/4885S1PR4 2513/4885CREBBP 1352/4885

“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.