SCHEMBL508772

SCHEMBL508772

CCOC(=O)CC(=O)Cn1nc(CC)c(Oc2cc(Cl)cc(Cl)c2)c1CC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.38
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK8 P45983 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL10250143 0.86 PTGDR2 (0.40) MAPTHTTPTGDR2TSHRALDH1A1
SCHEMBL508683 0.84 PTGDR2 (0.46) MAPTPTGDR2LMNA
SCHEMBL508289 0.83 PTGDR2 (0.41) MAPTPTGDR2TSHRALDH1A1MAPK1
SCHEMBL509492 0.82 ALDH1A1 (0.40) MAPTHTTPTGDR2ALDH1A1KDM4E
SCHEMBL508793 0.79 PTGDR2 (0.35) MAPTPTGDR2
SCHEMBL509302 0.77 PTGDR2 (0.38) MAPTPTGDR2ALDH1A1MAPK8
SCHEMBL508794 0.76 PTGDR2 (0.37) MAPTPTGDR2RAB9A
SCHEMBL5226712 0.75 KCNH2 (0.38) MAPTPTGDR2KMT2A
SCHEMBL508730 0.75 PTGDR2 (0.37) MAPTPTGDR2
SCHEMBL5227544 0.75 MAPT (0.36) MAPTPTGDR2

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-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-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-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 MAPT 2220/4885HTT 3591/4885PTGDR2 3222/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MAPT 2163/4885HTT 3635/4885PTGDR2 3365/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MAPT 1474/4885HTT 3918/4885PTGDR2 3632/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MAPT 2150/4885HTT 4427/4885PTGDR2 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.