SCHEMBL6805954

SCHEMBL6805954

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.38
LTB4R Q15722 2/20 0.38
HPGD P15428 1/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 5/20 0.37
CREBBP Q92793 1/20 0.36
ALOX5 P09917 2/20 0.36
PSEN1 P49768 1/20 0.36
S1PR4 O95977 1/20 0.36
PTGS2 P35354 1/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6605085 0.93 MRGPRX4 (0.42) MRGPRX4HPGDPPARDPPARAS1PR4
SCHEMBL6602658 0.92 HPGD (0.42) HPGDCREBBPS1PR4GCGRGIPR
SCHEMBL6602333 0.91 HPGD (0.38) HPGDPPARDPPARACREBBPS1PR4
SCHEMBL6805998 0.88 HPGD (0.41) HPGDCREBBPS1PR4GCGRGIPR
SCHEMBL6603655 0.87 HPGD (0.38) HPGDPPARDPPARACREBBPS1PR4
SCHEMBL6604189 0.87 MAPT (0.43) LTB4RHPGDCREBBPS1PR4MAPT
SCHEMBL6607860 0.87 HPGD (0.40) HPGDCREBBPS1PR4GCGRGIPR
SCHEMBL6604163 0.85 S1PR4 (0.40) HPGDCREBBPS1PR4GCGRGIPR
SCHEMBL6804785 0.84 TP53 (0.38) LTB4RHPGDCREBBPS1PR4GCGR
SCHEMBL6601481 0.84 CYP11B1 (0.42) HPGDCREBBPS1PR4MAPTL3MBTL1

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 MRGPRX4 2245/4885LTB4R 2554/4885HPGD 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.