SCHEMBL6602350

SCHEMBL6602350

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PTPN11 Q06124 1/20 0.34
TNFRSF1A P19438 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL6602115 0.93 TNFRSF1A (0.35) GCGRGIPRALDH1A1MAPTPOLB
SCHEMBL6602442 0.92 ALDH1A1 (0.36) GCGRGIPRALDH1A1MAPTMEN1
SCHEMBL6602552 0.90 GCGR (0.36) GCGRGIPRRXRARXRBRXRG
SCHEMBL6607130 0.88 TNFRSF1A (0.39) GCGRGIPRRXRARXRBRXRG
SCHEMBL6607126 0.85 GCGR (0.37) GCGRGIPRRXRARXRBRXRG
SCHEMBL6613685 0.84 TP53 (0.41) GCGRGIPRALDH1A1MAPTMEN1
SCHEMBL6606588 0.83 TNFRSF1A (0.35) GCGRGIPRALDH1A1MAPTPOLB
SCHEMBL6604278 0.83 ALDH1A1 (0.36) GCGRGIPRALDH1A1MAPTMEN1
SCHEMBL6614919 0.81 CHEK1 (0.38) GCGRGIPRALDH1A1MAPTMEN1
SCHEMBL6804198 0.80 MAPT (0.40) GCGRGIPRALDH1A1MAPTMEN1

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 GCGR 2460/4885GIPR 1805/4885RXRA 1447/4885

“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.