SCHEMBL508358

SCHEMBL508358

CCc1nn(CCOC)c(CC)c1Oc1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.45
KCNH2 Q12809 3/20 0.40
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TBXAS1 P24557 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 4/20 0.37
CYP2C19 P33261 3/20 0.37
USP2 O75604 2/20 0.37
HIF1A Q16665 1/20 0.37
MAPK1 P28482 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
AR P10275 1/20 0.33
NPBWR1 P48145 1/20 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
SCHEMBL5224343 0.90 KCNH2 (0.49) PGRKCNH2ALOX12ALDH1A1CYP3A4
SCHEMBL508453 0.88 PGR (0.44) PGRKCNH2ALOX12TBXAS1FNTA
SCHEMBL507981 0.88 PGR (0.44) PGRKCNH2TBXAS1FNTAFNTB
SCHEMBL13889241 0.86 PGR (0.60) PGRKCNH2TBXAS1HSD17B10
SCHEMBL509344 0.84 KCNH2 (0.41) PGRKCNH2TBXAS1FNTAFNTB
SCHEMBL508602 0.83 KCNH2 (0.45) PGRKCNH2
SCHEMBL4810598 0.82 PTGDR2 (0.45) PGRKCNH2ALDH1A1
SCHEMBL509240 0.81 PGR (0.47) PGRKCNH2
SCHEMBL1347466 0.80 KCNH2 (0.45) PGRKCNH2
SCHEMBL10254001 0.80 MPO (0.33) 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 19 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-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-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
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 PGR 641/4885KCNH2 3441/4885ALOX12 3374/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 PGR 893/4885KCNH2 3304/4885ALOX12 3612/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PGR 891/4885KCNH2 3548/4885ALOX12 3319/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PGR 1045/4885KCNH2 3503/4885ALOX12 3008/4885

“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.