SCHEMBL6602793

SCHEMBL6602793

CCOc1c(F)c(-c2ccc(C(N)=O)cc2)nn1CCOc1ccc(-c2cccs2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
TNFRSF1A P19438 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FYN P06241 1/20 0.36
PDE5A O76074 1/20 0.35
MAPT P10636 2/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
KCNA5 P22460 1/20 0.35
HDAC1 Q13547 6/20 0.34
HDAC2 Q92769 3/20 0.34
KCNH2 Q12809 1/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 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
SCHEMBL6604701 0.93 TNFRSF1A (0.39) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6607115 0.91 ACLY (0.39) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6614919 0.90 CHEK1 (0.38) CHEK1CHEK2TNFRSF1AALDH1A1KDM4E
SCHEMBL6801015 0.89 SMPD3 (0.38) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6606588 0.88 TNFRSF1A (0.35) CHEK2TNFRSF1AALDH1A1KDM4EMAPT
SCHEMBL6615433 0.86 CHEK2 (0.38) CHEK1CHEK2ALDH1A1MAPTGCGR
SCHEMBL6602641 0.86 HSD17B1 (0.37) ALDH1A1PDE5AMAPTGCGRGIPR
SCHEMBL6607130 0.83 TNFRSF1A (0.39) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6804198 0.82 MAPT (0.40) TNFRSF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6602552 0.81 GCGR (0.36) TNFRSF1AALDH1A1MEN1KMT2ARAB9A

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 CHEK1 653/4885CHEK2 957/4885TNFRSF1A 4586/4885

“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.