SCHEMBL6805250

SCHEMBL6805250

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(C#N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.42
AR P10275 1/20 0.39
HPGD P15428 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
MET P08581 1/20 0.38
PDE5A O76074 1/20 0.38
S1PR4 O95977 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EIF4EBP1 Q13541 2/20 0.37
HTR2C P28335 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 1/20 0.35
CYP19A1 P11511 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
SCHEMBL6604015 0.87 NCEH1 (0.40) ICMTHPGDPDE5AMAPTEIF4EBP1
SCHEMBL6602658 0.86 HPGD (0.42) HPGDS1PR4MAPTRAB9AATM
SCHEMBL6805998 0.85 HPGD (0.41) HPGDS1PR4MAPTRAB9AATM
SCHEMBL6602669 0.85 KDM4E (0.45) HPGDS1PR4MAPTRAB9AATM
SCHEMBL6601564 0.84 KDM4E (0.36) ICMTHPGDMAPTEIF4EBP1SMN1; SMN2
SCHEMBL6605085 0.82 MRGPRX4 (0.42) HPGDMRGPRX4S1PR4MAPTRAB9A
SCHEMBL6606254 0.82 TP53 (0.47) MRGPRX4MAPTRAB9AEIF4EBP1SMN1; SMN2
SCHEMBL6618291 0.82 HPGD (0.39) HPGDMRGPRX4S1PR4MAPTRAB9A
SCHEMBL6607144 0.82 ALDH1A1 (0.41) HPGDS1PR4MAPTRAB9AATM
SCHEMBL6604163 0.82 S1PR4 (0.40) 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 1 patent. 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

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 4767/4885AR 3193/4885HPGD 76/4885

“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.