SCHEMBL6602237

SCHEMBL6602237

CC(=O)Nc1cc(-c2ccccc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TP53 P04637 1/20 0.45
NCEH1 Q6PIU2 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 6/20 0.39
LDHA P00338 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PRNP P04156 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NTRK1 P04629 1/20 0.36

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
SCHEMBL6605026 0.86 RXFP1 (0.37) MAPTKMT2AMEN1MAPK1NCEH1
SCHEMBL6805483 0.82 KMT2A (0.36) MAPTKMT2AMEN1MAPK1NCEH1
SCHEMBL6602671 0.81 RXFP1 (0.39) MAPTKMT2AMEN1MAPK1NCEH1
SCHEMBL6607152 0.81 MAPT (0.46) MAPTKMT2AMEN1MAPK1NCEH1
SCHEMBL6809974 0.81 MAPT (0.35) MAPTKMT2AMEN1MAPK1NCEH1
SCHEMBL6602524 0.81 ADORA1 (0.40) MAPTKMT2AMEN1MAPK1TP53
SCHEMBL6607900 0.80 RXFP1 (0.38) MAPTKMT2AMEN1MAPK1NCEH1
SCHEMBL6601377 0.79 RXFP1 (0.39) MAPTKMT2AMEN1MAPK1NCEH1
SCHEMBL6803979 0.79 MAPT (0.37) MAPTKMT2AMEN1MAPK1NCEH1
SCHEMBL6602054 0.77 PTPN11 (0.40) KMT2AMEN1TP53NCEH1KDM4E

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 MAPT 3013/4885KMT2A 2911/4885MEN1 2036/4885

“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.