SCHEMBL508284

SCHEMBL508284

CCc1nn(CCN)c(CN2CCN(C(C)=O)CC2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
THRB P10828 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
SLC2A1 P11166 3/20 0.35
SLC2A2 P11168 3/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FAAH O00519 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL12132021 0.93 FAAH (0.35) LMNAFAAHPTGDR2MAPT
SCHEMBL509060 0.87 FAAH (0.36) LMNATHRBKMT2AMEN1ATM
SCHEMBL5226341 0.84 FAAH (0.33) LMNATHRBKMT2AMEN1ATM
SCHEMBL509197 0.80 KCNH2 (0.37) ALDH1A1PTGDR2MAPT
SCHEMBL509118 0.79 MAPT (0.35) PTGDR2MAPT
SCHEMBL509369 0.76 LTA4H (0.33) PTGDR2MAPT
SCHEMBL509474 0.75 MAPT (0.34) PTGDR2MAPT
SCHEMBL5227599 0.75 ADCY10 (0.33) PTGDR2MAPT
SCHEMBL14600286 0.75 MAPT (0.33) PTGDR2MAPT
SCHEMBL5226780 0.74 KCNH2 (0.39) ALDH1A1PTGDR2MAPTSIGMAR1

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-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
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-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
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
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (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 LMNA 3796/4885THRB 1725/4885KMT2A 2507/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 LMNA 3981/4885THRB 2256/4885KMT2A 3169/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD LMNA 3976/4885THRB 2741/4885KMT2A 3500/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 LMNA 3857/4885THRB 3051/4885KMT2A 3782/4885

“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.