Sugi Predict

Sugi Predict / Compounds / SCHEMBL4153504

SCHEMBL4153504

SCHEMBL4153504

N#Cc1cc2c(/C=C/c3cccc(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 8/20 0.39
▸ USP20 Q9Y2K6 1/20 0.34
▸ ALDH1A2 O94788 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 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
SCHEMBL4153506 1.00 NFE2L2 (0.39) NFE2L2USP20ALDH1A2ALDH1A1GRM4
SCHEMBL4148993 0.82 NFE2L2 (0.40) NFE2L2USP20ALDH1A2ALDH1A1GRM4
SCHEMBL4148989 0.82 NFE2L2 (0.40) NFE2L2USP20ALDH1A2ALDH1A1GRM4
SCHEMBL4149268 0.78 NFE2L2 (0.42) NFE2L2USP20ALDH1A2ALDH1A1GRM4
SCHEMBL4149270 0.78 NFE2L2 (0.42) NFE2L2USP20ALDH1A2ALDH1A1GRM4
SCHEMBL4156457 0.76 NFE2L2 (0.44) NFE2L2ALDH1A1GRM4TUBB4ATUBB
SCHEMBL4156461 0.76 NFE2L2 (0.44) NFE2L2ALDH1A1GRM4TUBB4ATUBB
SCHEMBL27604900 0.76 NFE2L2 (0.42) NFE2L2ALDH1A2ALDH1A1GRM4TUBB4A
SCHEMBL4144638 0.75 NFE2L2 (0.39) NFE2L2ALDH1A2ALDH1A1TUBB4ATUBB
SCHEMBL4144640 0.75 NFE2L2 (0.39) NFE2L2ALDH1A2ALDH1A1TUBB4ATUBB

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 NFE2L2 434/4885USP20 4162/4885ALDH1A2 1801/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885USP20 4186/4885ALDH1A2 1983/4885

“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.