Sugi Predict

Sugi Predict / Compounds / SCHEMBL4154262

SCHEMBL4154262

SCHEMBL4154262

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc(F)nc3)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.42
▸ WNT1 P04628 1/20 0.42
▸ DRD3 P35462 3/20 0.41
▸ KDR P35968 2/20 0.38
▸ SLC6A12 P48065 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ PTK2 Q05397 1/20 0.35
▸ ULK1 O75385 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL4154255 1.00 DYRK1A (0.42) DYRK1AWNT1DRD3KDRSLC6A12
SCHEMBL4157281 0.90 GPR183 (0.42) DYRK1ADRD3KDRSLC6A12PTK2
SCHEMBL4157275 0.90 GPR183 (0.42) DYRK1ADRD3KDRSLC6A12PTK2
SCHEMBL4152746 0.89 DRD3 (0.47) DYRK1ADRD3SLC6A12NTRK1CNR1
SCHEMBL4152742 0.89 DRD3 (0.47) DYRK1ADRD3SLC6A12NTRK1CNR1
SCHEMBL4153210 0.89 SLC6A12 (0.37) DYRK1ADRD3KDRSLC6A12NTRK1
SCHEMBL4153196 0.89 SLC6A12 (0.37) DYRK1ADRD3KDRSLC6A12NTRK1
SCHEMBL4145331 0.86 DYRK1A (0.42) DYRK1AWNT1DRD3KDRSLC6A12
SCHEMBL4145327 0.86 DYRK1A (0.42) DYRK1AWNT1DRD3KDRSLC6A12
SCHEMBL4144114 0.86 NPSR1 (0.44) DRD3KDRSLC6A12CNR1CNR2

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 DYRK1A 228/4885WNT1 366/4885DRD3 1139/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DYRK1A 258/4885WNT1 255/4885DRD3 1224/4885

“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.