SCHEMBL3552800

SCHEMBL3552800

COc1cc(C2=NOC3(CCOC3)C2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.40
PDE4B Q07343 6/20 0.40
PDE4D Q08499 6/20 0.40
PDE4A P27815 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
TBK1 Q9UHD2 1/20 0.35
MIF P14174 2/20 0.34

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
SCHEMBL3679289 0.96 PDE4B (0.40) GRM2PDE4BPDE4DPDE4APDE4C
SCHEMBL917291 0.93 GRM2 (0.43) GRM2PDE4BPDE4DPDE4APDE4C
SCHEMBL3547325 0.93 GRM2 (0.32) GRM2PDE4BPDE4DPDE4APDE4C
SCHEMBL917128 0.91 PDE4B (0.43) GRM2PDE4BPDE4DPDE4APDE4C
SCHEMBL3545532 0.90 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL3549061 0.90 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CPDE3B
SCHEMBL916902 0.89 SSTR5 (0.40) PDE4BPDE4DPDE4APDE4CMAPK1
SCHEMBL3552831 0.87 SSTR5 (0.33) GRM2PDE4BPDE4DPDE4APDE4C
SCHEMBL917952 0.87 FPR2 (0.42) GRM2PDE4BPDE4DPDE4APDE4C
SCHEMBL3945473 0.87 PDE4D (0.35) PDE4BPDE4DPDE4APDE4CPDE3B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825147-B2 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-11-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US claimed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP claimed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO claimed
EP-1663999-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES, LTD. (IN) 2006-06-07 EP claimed
US-20050075383-A1 Inhibitors of phophodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 US claimed
WO-2005021515-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 WO claimed
US-7825147-B2 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-11-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-02-26 US disclosed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
EP-1663999-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES, LTD. (IN) 2006-06-07 EP disclosed
US-20050075383-A1 Inhibitors of phophodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 US disclosed
WO-2005021515-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 WO 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 (3 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-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B GRM2 1487/4885PDE4B 1/4885PDE4D 10/4885
US-20050075383-A1 Inhibitors of phophodiesterase type-IV PDE7A, PDE4A, PDE4B GRM2 2862/4885PDE4B 3/4885PDE4D 7/4885
US-20090054382-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B GRM2 1442/4885PDE4B 1/4885PDE4D 10/4885

“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.