SCHEMBL4144288

SCHEMBL4144288

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NC4CC4)c(OC)c23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.43
CDK4 P11802 2/20 0.43
CCNA2 P20248 2/20 0.43
CCND1 P24385 2/20 0.43
CDK2 P24941 2/20 0.43
CCND3 P30281 2/20 0.43
KDR P35968 2/20 0.43
LCK P06239 1/20 0.43
FGFR1 P11362 1/20 0.43
POLB P06746 2/20 0.42
PTK2 Q05397 2/20 0.42
SLC6A12 P48065 1/20 0.41
PDE4B Q07343 4/20 0.40
MAPT P10636 2/20 0.40
NTRK1 P04629 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4144294 1.00 CHEK1 (0.43) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL4143679 0.92 DRD3 (0.42) KDRPOLBPTK2SLC6A12PDE4B
SCHEMBL4140186 0.92 TUBB1 (0.44) PTK2SLC6A12PDE4BNTRK1DRD3
SCHEMBL4140190 0.92 TUBB1 (0.44) PTK2SLC6A12PDE4BNTRK1DRD3
SCHEMBL4143682 0.92 DRD3 (0.42) KDRPOLBPTK2SLC6A12PDE4B
SCHEMBL4145331 0.88 DYRK1A (0.42) KDRPOLBPTK2SLC6A12NTRK1
SCHEMBL4145327 0.88 DYRK1A (0.42) KDRPOLBPTK2SLC6A12NTRK1
SCHEMBL4144114 0.88 NPSR1 (0.44) KDRSLC6A12PDE4BMAPTDRD3
SCHEMBL4137445 0.88 CYP3A4 (0.40) KDRPTK2SLC6A12MAPTDRD3
SCHEMBL4137449 0.88 CYP3A4 (0.40) KDRPTK2SLC6A12MAPTDRD3

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 7 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-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 CHEK1 952/4885CDK4 256/4885CCNA2 538/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885CDK4 260/4885CCNA2 567/4885

“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.