SCHEMBL21840112

SCHEMBL21840112

CCOC(=O)Cc1cc(C(=O)OC)c([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.42
USP10 Q14694 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL21632972 0.83 MAPK1 (0.43) ALDH1A1LMNAGALR2MITFPOLB
SCHEMBL17295752 0.82 ALDH1A1 (0.45) ALDH1A1LMNAMITFHPGDMAPK1
SCHEMBL17541076 0.80 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28402286 0.79 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28402302 0.77 SIRT6 (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL21632926 0.77 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17111627 0.76 MAPK1 (0.45) ALDH1A1LMNAPOLBHPGDSMN1; SMN2
SCHEMBL21840117 0.76 THRB (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL20594660 0.76 MAPT (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL11263992 0.74 MAPK1 (0.48) ALDH1A1LMNAMITFNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434248-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2022-09-06 US disclosed
CN-113956252-A PDE9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-01-21 CN disclosed
CN-109575016-B PDE9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-01-04 CN disclosed
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2021-05-06 US disclosed
US-10889591-B2 PDE9 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) 2021-01-12 US disclosed
EP-3689876-A1 PDE9 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co. Ltd. (CN) 2020-08-05 EP disclosed
US-20200115384-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2020-04-16 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-10889591-B2 PDE9 inhibitor and use thereof PDE3A, PDE9A, PDE3B PDGFRB 1243/4885FGFR1 3598/4885PDGFRA 1417/4885
US-20210130366-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B PDGFRB 1243/4885FGFR1 3598/4885PDGFRA 1417/4885
US-11434248-B2 PDE9 inhibitor and use thereof PDE3A, PDE9A, PDE3B PDGFRB 1243/4885FGFR1 3598/4885PDGFRA 1417/4885
US-20200115384-A1 PDE9 INHIBITOR AND USE THEREOF PDE3A, PDE9A, PDE3B PDGFRB 1243/4885FGFR1 3598/4885PDGFRA 1417/4885

“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.