SCHEMBL6602174

SCHEMBL6602174

CCCOc1c(F)c(-c2ccc(C(=O)O)cc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 4/20 0.38
RXFP1 Q9HBX9 3/20 0.37
KMT2A Q03164 2/20 0.37
PTPN11 Q06124 1/20 0.36
NCEH1 Q6PIU2 2/20 0.36
PTPN1 P18031 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PPARA Q07869 1/20 0.33
PTGER4 P35408 1/20 0.33
HPSE Q9Y251 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL6601619 0.95 PTGFR (0.39) PTGFRRXFP1KMT2APTPN11NCEH1
SCHEMBL6604292 0.93 RXFP1 (0.36) PTGFRRXFP1KMT2ANCEH1PTPN1
SCHEMBL6604911 0.93 RXFP1 (0.38) PTGFRRXFP1KMT2APTPN11NCEH1
SCHEMBL6604839 0.92 NCEH1 (0.37) RXFP1KMT2ANCEH1PTPN1LMNA
SCHEMBL6605028 0.91 PTPN11 (0.39) PTGFRRXFP1KMT2APTPN11PPARA
SCHEMBL6605519 0.88 RXFP1 (0.37) PTGFRRXFP1KMT2ANCEH1PTPN1
SCHEMBL6603198 0.87 KMT2A (0.39) PTGFRRXFP1KMT2APTPN11NCEH1
SCHEMBL6601615 0.87 NCEH1 (0.38) RXFP1KMT2ANCEH1LMNASMN1; SMN2
SCHEMBL6602537 0.86 PTGFR (0.39) PTGFRRXFP1KMT2APTPN11NCEH1
SCHEMBL6606279 0.85 PLAU (0.38) RXFP1KMT2ANCEH1LMNASMN1; SMN2

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 PTGFR 902/4885RXFP1 3332/4885KMT2A 2911/4885

“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.