SCHEMBL509278

SCHEMBL509278

CCOC(=O)c1cncc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ DYRK1A Q13627 1/20 0.45
▸ NAMPT P43490 5/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 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
SCHEMBL18019821 0.88 DYRK1A (0.50) DYRK1ANAMPTCYP3A4L3MBTL1ALDH1A1
SCHEMBL16880569 0.86 CYP2C9 (0.43) CYP2C19CYP2C9DYRK1ANAMPTKMT2A
SCHEMBL510089 0.84 DYRK1A (0.51) CYP2C19CYP2C9DYRK1ANAMPTKMT2A
SCHEMBL24139848 0.84 DYRK1A (0.50) DYRK1ANAMPTCYP3A4GAAMAPT
SCHEMBL16881353 0.82 NAMPT (0.42) CYP2C19CYP2C9DYRK1ANAMPTKMT2A
SCHEMBL16020299 0.81 DYRK1A (0.50) CYP2C9DYRK1ANAMPTCYP3A4GAA
SCHEMBL3905352 0.80 HTT (0.59) NAMPTKMT2ACYP3A4CYP1A2GAA
SCHEMBL29382818 0.80 CYP2C19 (0.69) CYP2C19CYP2C9KMT2ACYP3A4CYP1A2
SCHEMBL28585768 0.80 CYP2C19 (0.69) CYP2C19CYP2C9KMT2ACYP3A4CYP1A2
SCHEMBL4398673 0.80 CYP2C19 (0.54) CYP2C19CYP2C9NAMPTKMT2ACYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 — — EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 — — US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 — — US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 — — US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 — — US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 — — US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 — — US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 — — US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 — — US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 — — US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 — — US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 — — EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 — — EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 — — EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 — — US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 — — US disclosed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 — — EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 — — US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 — — WO 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 CYP2C19 356/4885CYP2C9 511/4885DYRK1A 4206/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 CYP2C19 281/4885CYP2C9 366/4885DYRK1A 4282/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD CYP2C19 235/4885CYP2C9 380/4885DYRK1A 4565/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CYP2C19 186/4885CYP2C9 248/4885DYRK1A 4670/4885

“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.

Send feedback