SCHEMBL6615433

SCHEMBL6615433

CCOc1c(F)c(-c2ccc(C(N)=O)cc2)nn1CCOc1ccc(-c2ccsc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.38
CHEK1 O14757 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
SLC6A9 P48067 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
BTK Q06187 1/20 0.32
PTGES O14684 1/20 0.32
SSTR5 P35346 1/20 0.32

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
SCHEMBL6602227 0.93 GCGR (0.37) CHEK2ALDH1A1MAPTGCGRGIPR
SCHEMBL6602511 0.91 ALDH1A1 (0.37) CHEK2ALDH1A1MAPTGCGRGIPR
SCHEMBL6613906 0.90 CHEK2 (0.38) CHEK2CHEK1ALDH1A1MAPTGCGR
SCHEMBL6806561 0.88 CREBBP (0.37) MAPTSLC6A9HPGDTRPM4
SCHEMBL6602793 0.86 CHEK1 (0.38) CHEK2CHEK1ALDH1A1MAPTGCGR
SCHEMBL6602016 0.85 HPGD (0.37) MAPTSLC6A9HPGD
SCHEMBL6606588 0.85 TNFRSF1A (0.35) CHEK2ALDH1A1MAPTGCGRGIPR
SCHEMBL6805493 0.83 TDP1 (0.36) MAPTSLC6A9HPGD
SCHEMBL6602641 0.83 HSD17B1 (0.37) ALDH1A1MAPTGCGRGIPRHDAC1
SCHEMBL6607126 0.83 GCGR (0.37) CHEK2ALDH1A1MAPTGCGRGIPR

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 CHEK2 957/4885CHEK1 653/4885ALDH1A1 758/4885

“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.