SCHEMBL4136502

SCHEMBL4136502

COc1c(C(=O)OCC2CC2)ccc2c1c(C=Cc1ccc(F)cc1)nn2C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.33
JAK1 P23458 4/20 0.32
JAK2 O60674 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
DRD3 P35462 1/20 0.31
CTSL P07711 2/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL4139105 0.92 GAA (0.35) HTR4MEN1KMT2ADRD2DRD4
SCHEMBL4135795 0.91 HTR4 (0.35) HTR4DRD2DRD4ACHE
SCHEMBL4152330 0.89 TUBB1 (0.40) HTR4DRD2DRD4ACHE
SCHEMBL4153493 0.89 HTR4 (0.35) HTR4MEN1KMT2ADRD2DRD4
SCHEMBL4155857 0.89 PDE4B (0.38) HTR4MEN1KMT2ADRD2DRD4
SCHEMBL4153964 0.88 RAB9A (0.34) HTR4
SCHEMBL4148222 0.88 CTSL (0.32) MEN1KMT2ACTSL
SCHEMBL4139709 0.86 ATM (0.40) MEN1KMT2A
SCHEMBL4145190 0.85 ENPP2 (0.31) CTSL
SCHEMBL4146151 0.85 ATM (0.42) MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HTR4 2339/4885JAK1 202/4885JAK2 114/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HTR4 2773/4885JAK1 216/4885JAK2 134/4885

“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.