SCHEMBL6603578

SCHEMBL6603578

CCOc1cc(-c2ccncc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.36
KMT2A Q03164 2/20 0.36
S1PR1 P21453 6/20 0.35
NCEH1 Q6PIU2 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.33
PKM P14618 3/20 0.33
MAPK1 P28482 3/20 0.33
S1PR3 Q99500 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6602524 0.91 ADORA1 (0.40) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6601090 0.89 CYP11B1 (0.45) RXFP1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL6602269 0.89 IDO1 (0.37) RXFP1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6606013 0.88 RXFP1 (0.37) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6600812 0.87 S1PR1 (0.35) RXFP1KMT2AS1PR1NCEH1ALDH1A1
SCHEMBL6613466 0.86 TP53 (0.43) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6601651 0.86 RXFP1 (0.36) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6602616 0.86 PTGES (0.35) RXFP1KMT2ANCEH1ALDH1A1KDM4E
SCHEMBL6607341 0.86 CNR2 (0.36) RXFP1KMT2ANCEH1ALDH1A1MAPT
SCHEMBL6603093 0.85 PTGES (0.34) RXFP1KMT2ANCEH1KDM4EMAPT

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 RXFP1 3332/4885KMT2A 2911/4885S1PR1 2272/4885

“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.