SCHEMBL6602464

SCHEMBL6602464

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2ccco2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 3/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCB1 P08183 1/20 0.35
EGFR P00533 1/20 0.35
PI4KB Q9UBF8 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
SCHEMBL6603644 0.89 HPGD (0.38) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL6603641 0.87 KDM4E (0.38) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL6603253 0.86 KDM4E (0.41) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL6605678 0.84 KMT2A (0.40) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL6601735 0.82 HPGD (0.39) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL6603514 0.82 NLRP3 (0.41) HPGDLMNARAB9APOLBKMT2A
SCHEMBL6600508 0.82 NSD2 (0.40) GAAALDH1A1LMNAPOLBKMT2A
SCHEMBL6603655 0.79 HPGD (0.38) HPGDALDH1A1RAB9APOLBSMN1; SMN2
SCHEMBL6607860 0.79 HPGD (0.40) HPGDALDH1A1LMNARAB9APOLB
SCHEMBL6804785 0.76 TP53 (0.38) KDM4EHPGDALDH1A1RAB9APOLB

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 KDM4E 3990/4885HPGD 76/4885HSD17B10 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.