SCHEMBL6602115

SCHEMBL6602115

CCOc1c(Br)c(-c2ccc(C(N)=O)cc2)nn1CCOc1ccc(-c2cc(C)cs2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
HPGD P15428 2/20 0.34
GRIN2B Q13224 1/20 0.32
SLC6A7 Q99884 1/20 0.32
S1PR1 P21453 5/20 0.32
HDAC1 Q13547 1/20 0.32
BTK Q06187 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6602350 0.93 GCGR (0.36) TNFRSF1AALDH1A1MAPTGCGRGIPR
SCHEMBL6602442 0.91 ALDH1A1 (0.36) TNFRSF1AALDH1A1MAPTGCGRGIPR
SCHEMBL6606588 0.91 TNFRSF1A (0.35) TNFRSF1AALDH1A1MAPTGCGRGIPR
SCHEMBL6614919 0.88 CHEK1 (0.38) TNFRSF1AALDH1A1MAPTGCGRGIPR
SCHEMBL6613906 0.85 CHEK2 (0.38) ALDH1A1MAPTGCGRGIPRHPGD
SCHEMBL6602552 0.83 GCGR (0.36) TNFRSF1AALDH1A1MAPTGCGRGIPR
SCHEMBL6604278 0.82 ALDH1A1 (0.36) TNFRSF1AALDH1A1MAPTGCGRGIPR
SCHEMBL6607130 0.81 TNFRSF1A (0.39) TNFRSF1AALDH1A1MAPTGCGRGIPR
SCHEMBL6804198 0.79 MAPT (0.40) TNFRSF1AALDH1A1MAPTGCGRGIPR
SCHEMBL6602793 0.78 CHEK1 (0.38) TNFRSF1AALDH1A1MAPTGCGRGIPR

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 TNFRSF1A 4586/4885ALDH1A1 758/4885MAPT 3013/4885

“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.