SCHEMBL509028

SCHEMBL509028

CCc1nn(CCNC(=O)O)c(CNCc2ccc(C#N)cc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.35
P2RY14 Q15391 1/20 0.35
AKR1B1 P15121 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PGR P06401 3/20 0.33
ABCB1 P08183 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
CHRNA7 P36544 1/20 0.32
CYP3A4 P08684 1/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32

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
SCHEMBL10285742 0.90 CACNA1G (0.35) PTGDR2CACNA1GCACNA1BKCNH2MAPT
SCHEMBL509764 0.89 ALDH1A1 (0.39) PTGDR2CARM1PRMT6KMT2A
SCHEMBL5228035 0.86 CACNA1G (0.41) PTGDR2CACNA1GCACNA1BKCNH2PGR
SCHEMBL5224713 0.85 PTGDR2 (0.35) PTGDR2CACNA1GCACNA1BKCNH2P2RY14
SCHEMBL509007 0.82 MAPT (0.36) PTGDR2MAPTCYP3A4
SCHEMBL509867 0.80 MAPT (0.40) PTGDR2KCNH2MAPTCARM1PRMT6
SCHEMBL5231693 0.80 KCNH2 (0.43) PTGDR2KCNH2PGR
SCHEMBL508715 0.80 MAPT (0.40) PTGDR2KCNH2MAPT
SCHEMBL508080 0.80 MAPT (0.40) PTGDR2KCNH2MAPTCARM1PRMT6
SCHEMBL10285159 0.79 BRD4 (0.36) PTGDR2CARM1PRMT6

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 13 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-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
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
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 PTGDR2 3222/4885CACNA1G 3492/4885CACNA1B 4223/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 PTGDR2 3365/4885CACNA1G 3328/4885CACNA1B 4075/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PTGDR2 3632/4885CACNA1G 3541/4885CACNA1B 4196/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PTGDR2 3728/4885CACNA1G 2887/4885CACNA1B 3933/4885

“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.