SCHEMBL6602280

SCHEMBL6602280

CCCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2cccs2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.42
HPGD P15428 4/20 0.39
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
ADORA2A P29274 2/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR4 O95977 1/20 0.35
SLC6A9 P48067 1/20 0.35
MAPT P10636 1/20 0.34
S1PR1 P21453 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
SCHEMBL6601824 0.86 KDM4E (0.38) PDE5AHPGDMEN1KMT2ALMNA
SCHEMBL6606052 0.85 HPGD (0.39) HPGDGCGRGIPRNLRP3MEN1
SCHEMBL6604808 0.85 TP53 (0.43) PDE5AGCGRGIPRMEN1KMT2A
SCHEMBL6601066 0.83 PDE5A (0.40) PDE5AHPGDMEN1KMT2ALMNA
SCHEMBL6601735 0.81 HPGD (0.39) HPGDGCGRGIPRNLRP3MEN1
SCHEMBL6602658 0.81 HPGD (0.42) HPGDGCGRGIPRNLRP3KMT2A
SCHEMBL6805998 0.79 HPGD (0.41) HPGDGCGRGIPRNLRP3KMT2A
SCHEMBL6805954 0.79 MRGPRX4 (0.38) HPGDGCGRGIPRRAB9AS1PR4
SCHEMBL6601388 0.79 CREBBP (0.38) HPGDGCGRGIPRKMT2AADORA2A
SCHEMBL6602126 0.78 CREBBP (0.37) HPGDGCGRGIPRKMT2AKDM4E

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 PDE5A 2055/4885HPGD 76/4885GCGR 2460/4885

“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.