SCHEMBL508171

SCHEMBL508171

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 7/20 0.34
KCNH2 Q12809 1/20 0.34
RARG P13631 1/20 0.31
RORC P51449 1/20 0.31
SLC34A1 Q06495 1/20 0.31
MGLL Q99685 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
PGR P06401 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
SCHEMBL508919 0.93 RARG (0.33) KAT6ARARGRORCMEN1MAPT
SCHEMBL5225253 0.85 RARG (0.36) KAT6AKCNH2RARGRORCMEN1
SCHEMBL5229393 0.84 OPRL1 (0.34) PGR
SCHEMBL5228213 0.80 KDM4E (0.36) KCNH2RARGRORCMGLLMAPT
SCHEMBL509945 0.80 L3MBTL1 (0.35) MGLLMAPT
SCHEMBL2717095 0.76 KCNH2 (0.42) KCNH2PGR
SCHEMBL509033 0.76 PGR (0.40) KCNH2PGR
SCHEMBL509125 0.76 P2RX3 (0.35) KCNH2RARGRORCPGR
SCHEMBL5229047 0.74 KCNH2 (0.36) KCNH2MAPTKMT2APTGDR2PGR
SCHEMBL509436 0.73 PGR (0.32) PGR

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 23 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
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 KAT6A 3330/4885KCNH2 3441/4885RARG 2443/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KAT6A 3855/4885KCNH2 3304/4885RARG 3219/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KAT6A 3390/4885KCNH2 3548/4885RARG 2558/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KAT6A 3588/4885KCNH2 3503/4885RARG 3182/4885

“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.