SCHEMBL509369

SCHEMBL509369

CCc1nn(CCN)c(CNCCNC(C)=O)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
P2RX7 Q99572 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CNR1 P21554 1/20 0.30
MALT1 Q9UDY8 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
SCHEMBL509007 0.90 MAPT (0.36) LTA4HMAPTPTGDR2CYP3A4CYP2D6
SCHEMBL14600286 0.88 MAPT (0.33) MAPTPTGDR2P2RX7
SCHEMBL5226744 0.86 MAPT (0.37) LTA4HMAPTPTGDR2P2RX7CNR1
SCHEMBL10285187 0.86 DRD2 (0.34) LTA4HMAPTPTGDR2
SCHEMBL5231705 0.84 PTGDR2 (0.31) LTA4HMAPTPTGDR2
SCHEMBL509197 0.80 KCNH2 (0.37) LTA4HMAPTPTGDR2CYP2D6CYP2C9
SCHEMBL509118 0.79 MAPT (0.35) MAPTPTGDR2
SCHEMBL5228699 0.78 POLB (0.36) PTGDR2CARM1PRMT6CNR1
SCHEMBL508080 0.77 MAPT (0.40) LTA4HMAPTPTGDR2CARM1PRMT6
SCHEMBL5228035 0.76 CACNA1G (0.41) PTGDR2CYP3A4CNR1

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 20 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-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-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
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 LTA4H 1119/4885MAPT 2220/4885PTGDR2 3222/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 LTA4H 1376/4885MAPT 2163/4885PTGDR2 3365/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD LTA4H 1802/4885MAPT 1474/4885PTGDR2 3632/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 LTA4H 1945/4885MAPT 2150/4885PTGDR2 3728/4885

“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.