SCHEMBL4151600

SCHEMBL4151600

COc1cc(/C=C/c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3cc(F)c(N)cc23)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
APP P05067 7/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
AMY1A P0DUB6 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
KCNH2 Q12809 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
BACE1 P56817 2/20 0.33
NFE2L2 Q16236 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33

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
SCHEMBL4151603 1.00 ACHE (0.37) ACHEAPPCYP1A1CYP1A2CYP1B1
SCHEMBL4136234 0.92 TUBB1 (0.41) APPCYP1A1CYP1A2CYP1B1NFE2L2
SCHEMBL4136238 0.92 TUBB1 (0.41) APPCYP1A1CYP1A2CYP1B1NFE2L2
SCHEMBL4154631 0.88 NFE2L2 (0.35) NFE2L2
SCHEMBL4154628 0.88 NFE2L2 (0.35) NFE2L2
SCHEMBL4149708 0.85 NFE2L2 (0.37) KCNH2NFE2L2ALDH1A1MAPTL3MBTL1
SCHEMBL4149703 0.85 NFE2L2 (0.37) KCNH2NFE2L2ALDH1A1MAPTL3MBTL1
SCHEMBL4151634 0.84 CYP19A1 (0.41) ACHEAPPBACE1TUBB4ATUBB
SCHEMBL4151638 0.84 CYP19A1 (0.41) ACHEAPPBACE1TUBB4ATUBB
SCHEMBL4149270 0.83 NFE2L2 (0.42) NFE2L2TUBB4ATUBBTUBA3CTUBA1B

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 ACHE 3264/4885APP 4160/4885CYP1A1 408/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ACHE 3331/4885APP 4411/4885CYP1A1 481/4885

“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.