SCHEMBL6604701

SCHEMBL6604701

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.39
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
PPARG P37231 1/20 0.36
RORC P51449 1/20 0.36
PDE5A O76074 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6602793 0.93 CHEK1 (0.38) TNFRSF1ARAB9AALDH1A1MEN1KMT2A
SCHEMBL6607115 0.92 ACLY (0.39) TNFRSF1ARAB9AALDH1A1MEN1KMT2A
SCHEMBL6801015 0.92 SMPD3 (0.38) TNFRSF1ARAB9AALDH1A1MEN1KMT2A
SCHEMBL6607130 0.90 TNFRSF1A (0.39) TNFRSF1ARAB9AALDH1A1MEN1KMT2A
SCHEMBL6602552 0.88 GCGR (0.36) TNFRSF1ARAB9AALDH1A1MEN1KMT2A
SCHEMBL6602227 0.86 GCGR (0.37) RAB9AALDH1A1MEN1KMT2AGCGR
SCHEMBL6602612 0.85 HSD17B1 (0.38) ALDH1A1MEN1KMT2AGCGRGIPR
SCHEMBL6602233 0.84 MKNK1 (0.41) GCGRGIPRPPARGRORCRXRA
SCHEMBL6604808 0.83 TP53 (0.43) TNFRSF1ARAB9AALDH1A1MEN1KMT2A
SCHEMBL6603849 0.83 GCGR (0.38) RAB9AALDH1A1MEN1KMT2AGCGR

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 4586/4885RAB9A 2533/4885ALDH1A1 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.