SCHEMBL5030211

SCHEMBL5030211

O=C1CC[C@@H](C(=O)Nc2cc3c(/C=C/c4cccc(F)c4)n[nH]c3cc2F)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHEK1 O14757 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
KDR P35968 5/20 0.42
AURKA O14965 7/20 0.41
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CSF1R P07333 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
HPGDS O60760 1/20 0.38
AURKB Q96GD4 5/20 0.38

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
SCHEMBL5031108 0.88 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CHEK1KDR
SCHEMBL13927666 0.87 GSK3B (0.52) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4339882 0.84 GSK3B (0.48) MEN1KMT2ASMN1; SMN2GSK3AGSK3B
SCHEMBL4348193 0.84 GSK3B (0.48) MEN1KMT2ASMN1; SMN2GSK3AGSK3B
SCHEMBL5030124 0.83 KDR (0.42) MEN1KMT2ASMN1; SMN2CDK2KDR
SCHEMBL4150153 0.81 CHEK1 (0.51) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL4150149 0.81 CHEK1 (0.51) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL6428707 0.79 CHEK1 (0.49) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL6427851 0.77 CHEK1 (0.45) CHEK1CDK1CDK4CCNA2CCND1
SCHEMBL6427685 0.77 CHEK1 (0.47) CHEK1CDK1CDK4CCNA2CCND1

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 6 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-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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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

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 MEN1 4415/4885KMT2A 810/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MEN1 4470/4885KMT2A 741/4885SMN1; SMN2 3772/4885

“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.