SCHEMBL4150485

SCHEMBL4150485

COc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc(F)nc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.37
CHEK1 O14757 6/20 0.35
KDR P35968 6/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCND3 P30281 2/20 0.33
FGFR1 P11362 2/20 0.33
LCK P06239 1/20 0.33
DYRK1A Q13627 2/20 0.32
TUBB1 Q9H4B7 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32

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
SCHEMBL4150479 1.00 NFE2L2 (0.37) NFE2L2CHEK1KDRCCNA2CDK2
SCHEMBL4146015 0.88 CHEK1 (0.44) CHEK1DYRK1ATUBB1TUBB4ATUBB
SCHEMBL4146022 0.88 CHEK1 (0.44) CHEK1DYRK1ATUBB1TUBB4ATUBB
SCHEMBL4137389 0.87 NFE2L2 (0.38) NFE2L2CHEK1KDRFGFR1TUBB1
SCHEMBL4137384 0.87 NFE2L2 (0.38) NFE2L2CHEK1KDRFGFR1TUBB1
SCHEMBL4153221 0.87 P4HTM (0.36) CHEK1KDRCCNA2CDK2CDK4
SCHEMBL4153231 0.87 P4HTM (0.36) CHEK1KDRCCNA2CDK2CDK4
SCHEMBL4154255 0.85 DYRK1A (0.42) KDRDYRK1ADRD3WNT1
SCHEMBL4154262 0.85 DYRK1A (0.42) KDRDYRK1ADRD3WNT1
SCHEMBL4153123 0.84 PIM1 (0.43) NFE2L2CHEK1KDRCCNA2CDK2

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 4 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-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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B NFE2L2 434/4885CHEK1 952/4885KDR 932/4885

“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.