SCHEMBL508806

SCHEMBL508806

CC(=O)n1nc(CBr)c(Oc2cc(Cl)cc(Cl)c2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ENPP3 O14638 2/20 0.37
ALPL P05186 2/20 0.37
XIAP P98170 2/20 0.37
ENPP1 P22413 1/20 0.37
MAP3K14 Q99558 2/20 0.33
IKBKB O14920 1/20 0.33
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.32
NOTUM Q6P988 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
XPO1 O14980 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL508819 0.89 KCNH2 (0.47) MAPTENPP3ALPLXIAPENPP1
SCHEMBL14540763 0.87 MAPT (0.39) MAPTENPP3ALPLXIAPENPP1
SCHEMBL509734 0.82 ENPP3 (0.52) MAPTENPP3ALPLXIAPENPP1
SCHEMBL508808 0.77 CYP3A4 (0.38) KCNH2
SCHEMBL14540679 0.77 KCNH2 (0.47) MAPTENPP3ALPLXIAPENPP1
SCHEMBL4715260 0.76 KCNH2 (0.51) MAPTKCNH2PTGDR2
SCHEMBL10254343 0.72 ENPP3 (0.45) MAPTENPP3ALPLXIAPENPP1
SCHEMBL508348 0.72 ENPP3 (0.45) MAPTENPP3ALPLXIAPENPP1
SCHEMBL8300318 0.65 PDGFRA (0.46) PTGDR2ALDH1A1
SCHEMBL508715 0.65 MAPT (0.40) MAPTKCNH2PTGDR2ALDH1A1LMNA

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 27 patents — showing the first 20. 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-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US 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-1556381-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 US disclosed
WO-2004029051-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LIMITED (GB) 2004-04-08 WO 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 (5 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 2220/4885ENPP3 750/4885ALPL 3566/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MAPT 2163/4885ENPP3 1020/4885ALPL 2968/4885
US-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 MAPT 2597/4885ENPP3 1100/4885ALPL 2537/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MAPT 1474/4885ENPP3 632/4885ALPL 2083/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MAPT 2150/4885ENPP3 968/4885ALPL 2483/4885

“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.