SCHEMBL6601389

SCHEMBL6601389

CCOc1c(F)c(-c2cccc(OC)c2)nn1CCOc1ccc(-c2ccccc2OC)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KCNH2 Q12809 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
P2RX3 P56373 1/20 0.37
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASR P41180 1/20 0.36
ADORA2A P29274 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
SCHEMBL6600816 0.94 PIK3CD (0.39) MEN1KMT2AKCNH2PDE4APDE4B
SCHEMBL6601526 0.92 HPGD (0.40) MEN1KMT2AKCNH2PDE4APDE4B
SCHEMBL6805466 0.92 KCNH2 (0.35) MEN1KMT2AKCNH2PDE4APDE4B
SCHEMBL6803576 0.90 KCNH2 (0.40) MEN1KMT2AKCNH2PDE4APDE4B
SCHEMBL6805266 0.90 CACNA2D1 (0.39) MAPTSMN1; SMN2HPGDLMNANPC1
SCHEMBL6603628 0.89 MAPT (0.44) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL6799808 0.88 CACNA2D1 (0.38) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL6601576 0.87 CACNA2D1 (0.37) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL6809790 0.86 KDM4E (0.39) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL6607916 0.86 SLC6A9 (0.36) MAPTSMN1; SMN2HPGDLMNACACNA2D1

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 MEN1 2036/4885KMT2A 2911/4885KCNH2 4550/4885

“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.