SCHEMBL4150256

SCHEMBL4150256

CNC(=O)CNC(=O)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.36
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
NTRK1 P04629 1/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SLC6A9 P48067 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
ALDH1A1 P00352 1/20 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

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
SCHEMBL4150244 1.00 POLB (0.40) POLBKDM4ECHEK1CCNA2CDK2
SCHEMBL4145975 0.92 KDM4E (0.37) POLBKDM4ECHEK1CCNA2CDK2
SCHEMBL4145998 0.92 KDM4E (0.37) POLBKDM4ECHEK1CCNA2CDK2
SCHEMBL6426050 0.92 POLB (0.39) POLBCHEK1CCNA2CDK2KDR
SCHEMBL4139682 0.91 DRD3 (0.35) KDM4ECHEK1CCNA2CDK2KDR
SCHEMBL13927848 0.91 DRD3 (0.35) POLBKDM4ECHEK1CCNA2CDK2
SCHEMBL4145452 0.90 KCNA3 (0.40) KDM4ECHEK1CCNA2CDK2KDR
SCHEMBL4145465 0.90 KCNA3 (0.40) KDM4ECHEK1CCNA2CDK2KDR
SCHEMBL6430155 0.90 HDAC6 (0.39) POLBDRD3DRD2DRD4MAPT
SCHEMBL4148210 0.90 CHEK1 (0.35) POLBKDM4ECHEK1CCNA2CDK2

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 POLB 2798/4885KDM4E 2622/4885CHEK1 952/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B POLB 2534/4885KDM4E 2795/4885CHEK1 657/4885

“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.