SCHEMBL6601090

SCHEMBL6601090

CCOc1cc(-c2cccnc2)nn1CCOc1ccc2cc(Br)ccc2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
CYP19A1 P11511 3/20 0.45
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 3/20 0.37
MAPT P10636 2/20 0.37
GRM2 Q14416 1/20 0.37
PDPK1 O15530 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PRNP P04156 1/20 0.35
KCNH2 Q12809 1/20 0.35
DHFR P00374 1/20 0.35
USP8 P40818 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CYP2E1 P05181 1/20 0.34

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 0.90 ADORA1 (0.40) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL6603578 0.89 RXFP1 (0.36) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL6602616 0.86 PTGES (0.35) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL6603093 0.86 PTGES (0.34) KMT2AMEN1MAPTSMN1; SMN2RXFP1
SCHEMBL6602054 0.85 PTPN11 (0.40) KMT2AMEN1RXFP1ALDH1A1
SCHEMBL6606013 0.84 RXFP1 (0.37) CYP11B1CYP11B2CYP19A1KMT2ANPC1
SCHEMBL6607170 0.84 PLAU (0.40) KMT2AMAPTSMN1; SMN2RXFP1
SCHEMBL6602269 0.84 IDO1 (0.37) KMT2AMEN1MAPTTSHRRXFP1
SCHEMBL6600812 0.84 S1PR1 (0.35) KMT2AMEN1MAPTRXFP1DHFR
SCHEMBL6804459 0.83 KMT2A (0.36) KMT2AMEN1MAPTSMN1; SMN2RXFP1

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 CYP11B1 297/4885CYP11B2 179/4885CYP19A1 567/4885

“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.