SCHEMBL6603644

SCHEMBL6603644

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2ccco2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CREBBP Q92793 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR4 O95977 1/20 0.36
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 2/20 0.35
KMO O15229 2/20 0.35
ABCB1 P08183 1/20 0.35
EGFR P00533 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
SCHEMBL6601735 0.94 HPGD (0.39) HPGDKDM4EHSD17B10GAARAB9A
SCHEMBL6603641 0.93 KDM4E (0.38) HPGDKDM4EHSD17B10GAARAB9A
SCHEMBL6602464 0.89 KDM4E (0.40) HPGDKDM4EHSD17B10GAARAB9A
SCHEMBL6602658 0.88 HPGD (0.42) HPGDRAB9ALMNAALDH1A1CREBBP
SCHEMBL6613384 0.87 CYP3A4 (0.36) HPGDRAB9ALMNACREBBPSMN1; SMN2
SCHEMBL6603253 0.86 KDM4E (0.41) HPGDKDM4EHSD17B10GAARAB9A
SCHEMBL6805998 0.86 HPGD (0.41) HPGDRAB9ALMNAALDH1A1CREBBP
SCHEMBL6604163 0.83 S1PR4 (0.40) HPGDRAB9AALDH1A1CREBBPSMN1; SMN2
SCHEMBL6604189 0.83 MAPT (0.43) HPGDKDM4ERAB9ALMNAMAPK1
SCHEMBL6603655 0.83 HPGD (0.38) HPGDRAB9AALDH1A1CREBBPSMN1; SMN2

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 76/4885KDM4E 3990/4885HSD17B10 969/4885

“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.