SCHEMBL6606680

SCHEMBL6606680

CCOc1cc(-c2ccccc2)nn1CCOc1cc(Br)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NLRP3 Q96P20 1/20 0.37
GALR3 O60755 1/20 0.37
GAA P10253 1/20 0.37
NPY1R P25929 1/20 0.37
STAT3 P40763 1/20 0.37
NPY2R P49146 1/20 0.37
S1PR4 O95977 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
ADORA1 P30542 2/20 0.36
HTT P42858 1/20 0.36
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 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
SCHEMBL6602669 0.92 KDM4E (0.45) MAPTS1PR4SMN1; SMN2POLBLMNA
SCHEMBL6606028 0.87 MGAM (0.43) MEN1KMT2AGAASMN1; SMN2POLB
SCHEMBL6618274 0.87 HTR1B (0.42) MAPTMEN1KMT2AGALR3GAA
SCHEMBL6616088 0.86 KDM4E (0.45) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6600508 0.85 NSD2 (0.40) MAPTMEN1KMT2AGALR3GAA
SCHEMBL6607058 0.84 ADORA1 (0.41) MAPTMEN1KMT2AGALR3GAA
SCHEMBL6805998 0.83 HPGD (0.41) MAPTKMT2ANLRP3STAT3S1PR4
SCHEMBL6602658 0.83 HPGD (0.42) MAPTKMT2ANLRP3STAT3S1PR4
SCHEMBL6606370 0.82 SCN9A (0.38) GAASMN1; SMN2LMNAADORA1ADORA2A
SCHEMBL6601824 0.82 KDM4E (0.38) MAPTMEN1KMT2ASMN1; SMN2POLB

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 3013/4885MEN1 2036/4885KMT2A 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.