SCHEMBL6607212

SCHEMBL6607212

CCOc1cc(-c2ccccc2)nn1CCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
GALR3 O60755 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
SCHEMBL6797974 0.90 RAB9A (0.41) MAPTPPARGPPARARAB9AKMT2A
SCHEMBL6602434 0.87 PPARG (0.39) MAPTPPARGPPARARAB9AKMT2A
SCHEMBL6601551 0.85 LTA4H (0.45) PPARGPPARARAB9ANPC1SMN1; SMN2
SCHEMBL6602662 0.85 PPARG (0.42) MAPTPPARGPPARARAB9AKMT2A
SCHEMBL6602524 0.85 ADORA1 (0.40) MAPTRAB9AKMT2ANPC1LMNA
SCHEMBL6618274 0.83 HTR1B (0.42) MAPTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL6607058 0.83 ADORA1 (0.41) MAPTKMT2ANPC1SMN1; SMN2LMNA
SCHEMBL6602248 0.83 NPC1 (0.51) PPARGRAB9AKMT2ANPC1MEN1
SCHEMBL6616088 0.83 KDM4E (0.45) MAPTRAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL6603315 0.82 TTK (0.35) MAPTPPARGPPARARAB9AKMT2A

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 3013/4885PPARG 161/4885PPARA 242/4885

“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.