SCHEMBL508919

SCHEMBL508919

CCc1nn(CCO)c(CC)c1Oc1cc(-n2cccn2)cc(-n2cccn2)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.33
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 1/20 0.32
CHRNA7 P36544 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
KAT6A Q92794 1/20 0.31
NOTUM Q6P988 1/20 0.30
NPBWR1 P48145 1/20 0.30
ATM Q13315 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
SCHEMBL508171 0.93 KAT6A (0.34) RARGRORCMEN1MAPTPKM
SCHEMBL5225253 0.90 RARG (0.36) RARGRORCMEN1MAPTPKM
SCHEMBL509033 0.80 PGR (0.40) PGR
SCHEMBL509150 0.78 KDM4C (0.35) MEN1KMT2A
SCHEMBL5229047 0.78 KCNH2 (0.36) MAPTKMT2APGRATM
SCHEMBL5229393 0.77 OPRL1 (0.34) PGR
SCHEMBL509302 0.77 PTGDR2 (0.38) MAPTPGR
SCHEMBL5227947 0.76 PGR (0.40) PGRNOTUM
SCHEMBL5227964 0.76 PTGDR2 (0.42) RARGRORCMEN1MAPTKMT2A
SCHEMBL5228227 0.75 PTGDR2 (0.40) MAPTKMT2A

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 22 patents — showing the first 20. 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-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-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-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 RARG 2443/4885RORC 670/4885MEN1 4693/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 RARG 3219/4885RORC 763/4885MEN1 4729/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD RARG 2558/4885RORC 200/4885MEN1 4837/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 RARG 3182/4885RORC 364/4885MEN1 4636/4885

“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.