SCHEMBL509399

SCHEMBL509399

CCc1nn(CCNC(=O)O)c(Cn2cccn2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KLKB1 P03952 2/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HTT P42858 1/20 0.31
SNCA P37840 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
THRB P10828 2/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL10285156 0.89 DRD2 (0.34) MAPTKLKB1PTGDR2KDM4E
SCHEMBL509867 0.85 MAPT (0.40) MAPTPTGDR2KDM4ELMNA
SCHEMBL508715 0.84 MAPT (0.40) MAPTPTGDR2LMNA
SCHEMBL508080 0.84 MAPT (0.40) MAPTPTGDR2LMNA
SCHEMBL5227599 0.84 ADCY10 (0.33) MAPTKLKB1PTGDR2PDE4B
SCHEMBL5233666 0.82 PTGDR2 (0.33) MAPTKLKB1PTGDR2
SCHEMBL509601 0.82 MAPT (0.41) MAPTPTGDR2LMNA
SCHEMBL14540663 0.81 MAPT (0.36) MAPTKLKB1PTGDR2
SCHEMBL509060 0.80 FAAH (0.36) MAPTPTGDR2MEN1KMT2ATHRB
SCHEMBL5228559 0.80 KEAP1 (0.37) MAPTKLKB1PTGDR2KEAP1NFE2L2

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 13 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-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
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
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 MAPT 2220/4885KLKB1 2456/4885PTGDR2 3222/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MAPT 2163/4885KLKB1 2279/4885PTGDR2 3365/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MAPT 1474/4885KLKB1 2171/4885PTGDR2 3632/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MAPT 2150/4885KLKB1 1779/4885PTGDR2 3728/4885

“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.