SCHEMBL6602524

SCHEMBL6602524

CCOc1cc(-c2ccccc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
ADORA2A P29274 2/20 0.40
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
MAPK1 P28482 1/20 0.34
AGPAT2 O15120 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL6607900 0.93 RXFP1 (0.38) ADORA1ADORA2AMAPTRXFP1LMNA
SCHEMBL6803979 0.92 MAPT (0.37) ADORA1ADORA2AMAPTRXFP1LMNA
SCHEMBL6603578 0.91 RXFP1 (0.36) ADORA1ADORA2AMAPTRXFP1LMNA
SCHEMBL6602671 0.91 RXFP1 (0.39) ADORA1ADORA2AMAPTRXFP1LMNA
SCHEMBL6604165 0.91 MAPT (0.46) ADORA1ADORA2AMAPTRXFP1LMNA
SCHEMBL6602616 0.91 PTGES (0.35) ADORA1ADORA2AMAPTRXFP1LMNA
SCHEMBL6607058 0.90 ADORA1 (0.41) ADORA1ADORA2AMAPTLMNAALDH1A1
SCHEMBL6603093 0.90 PTGES (0.34) MAPTRXFP1LMNAKMT2AKDM4E
SCHEMBL6601090 0.90 CYP11B1 (0.45) MAPTRXFP1PRNPALDH1A1KMT2A
SCHEMBL6602269 0.90 IDO1 (0.37) MAPTRXFP1LMNAALDH1A1KMT2A

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 ADORA1 3424/4885ADORA2A 3234/4885MAPT 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.