SCHEMBL2864205

SCHEMBL2864205

N#Cc1c(Cl)c2ccccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.63
PDE1C Q14123 1/20 0.63
HSPD1 P10809 1/20 0.59
HSPE1 P61604 1/20 0.59
P2RX4 Q99571 1/20 0.55
CYP19A1 P11511 1/20 0.53
CCR2 P41597 1/20 0.51
PGR P06401 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
STAT3 P40763 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL568696 0.89 ALDH1A1 (0.52) PDE9APDE1CHSPD1HSPE1P2RX4
SCHEMBL29892161 0.87 ALDH1A1 (0.58) PDE9APDE1CHSPD1HSPE1PGR
SCHEMBL23412054 0.87 ALDH1A1 (0.58) PDE9APDE1CHSPD1HSPE1PGR
SCHEMBL5526856 0.86 PDE9A (0.52) PDE9APDE1CHSPD1HSPE1CCR2
SCHEMBL2863880 0.86 P2RX4 (0.62) PDE9APDE1CHSPD1HSPE1P2RX4
SCHEMBL18582737 0.84 PDE9A (0.62) PDE9APDE1CHSPD1HSPE1P2RX4
SCHEMBL5523464 0.84 PDE1C (0.50) PDE9APDE1CHSPD1HSPE1CCR2
SCHEMBL5526500 0.84 PDE1C (0.62) PDE9APDE1CHSPD1HSPE1P2RX4
SCHEMBL9217747 0.81 KDM4E (0.50) PDE9APDE1CPGRMAPTMEN1
SCHEMBL4854622 0.80 MEN1 (0.47) PDE9APDE1CMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964987-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-04-23 US disclosed
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2021-01-07 US disclosed
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2021-01-07 US disclosed
US-10815244-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-27 US disclosed
US-10815244-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-27 US disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
WO-2017040459-A1 IMPROVED SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 WO disclosed
US-7842701-B2 Pyrazoloquinolone derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-30 US disclosed
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-12-06 US disclosed
EP-1719771-A1 PYRAZOLOQUINOLONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-11-08 EP 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 (5 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-11964987-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 PDE9A 662/4885PDE1C 1977/4885HSPD1 3349/4885
US-10815244-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 PDE9A 662/4885PDE1C 1977/4885HSPD1 3349/4885
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME MIF, ITGB7, ITGB4 PDE9A 662/4885PDE1C 1977/4885HSPD1 3349/4885
US-20070281963-A1 Pyrazoloquinolone Derivative And Use Thereof MAP3K20, MAP4K5, MAP4K3 PDE9A 2736/4885PDE1C 3343/4885HSPD1 1321/4885
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS MIF, ITGB7, ITGB4 PDE9A 1053/4885PDE1C 3063/4885HSPD1 4101/4885

“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.