SCHEMBL6603662

SCHEMBL6603662

CCOc1c(Br)c(-c2ccccc2)nn1CCOc1ccc(C#N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.41
PDE5A O76074 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
S1PR4 O95977 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 1/20 0.34
PRKDC P78527 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
EIF4EBP1 Q13541 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
SQOR Q9Y6N5 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL6617431 0.89 ICMT (0.43) ICMTPDE5AARHPGDMRGPRX4
SCHEMBL6601495 0.89 ICMT (0.41) ICMTPDE5AARHPGDMRGPRX4
SCHEMBL6602889 0.83 MRGPRX4 (0.41) HPGDMRGPRX4S1PR4L3MBTL1
SCHEMBL6805250 0.80 ICMT (0.42) ICMTPDE5AARHPGDMRGPRX4
SCHEMBL6614521 0.78 ICMT (0.43) ICMTPDE5AHPGDMRGPRX4MAPT
SCHEMBL6602957 0.78 KDM4E (0.45) MAPTRAB9AL3MBTL1
SCHEMBL6606018 0.77 KDM4E (0.43) HPGDS1PR4MAPTRAB9AATM
SCHEMBL6802290 0.76 ADORA1 (0.37) PDE5AHPGDS1PR4MAPTCYP19A1
SCHEMBL6616507 0.76 MAPT (0.53) HPGDMAPTRAB9AATML3MBTL1
SCHEMBL6805360 0.75 MAPT (0.38) HPGDS1PR4MAPTRAB9AATM

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 ICMT 4767/4885PDE5A 2055/4885AR 3193/4885

“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.