SCHEMBL20240245

SCHEMBL20240245

Cn1ncc2c(Cl)nc(C(F)(F)F)nc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.47
KMT2A Q03164 2/20 0.38
HTR2C P28335 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL25746210 0.81 PDE2A (0.48) PDE2AKMT2AHTR2C
SCHEMBL30033642 0.80 PDE2A (0.47) PDE2AKMT2AHTR2CGAA
SCHEMBL23579577 0.80 PDE2A (0.47) PDE2AKMT2AHTR2CGAA
SCHEMBL55774 0.77 PDE2A (0.64) PDE2AKMT2AKDM4EALDH1A1MAPT
SCHEMBL18343699 0.75 PDE2A (0.49) PDE2AKMT2AKDM4EALDH1A1MAPT
SCHEMBL24954062 0.74 PDE2A (0.47) PDE2AKMT2AHTR2CKDM4EALDH1A1
SCHEMBL17889388 0.74 PDE2A (0.47) PDE2AKMT2AKDM4EALDH1A1MAPT
SCHEMBL31106964 0.74 PDE2A (0.47) PDE2AKMT2AHTR2CKDM4EALDH1A1
SCHEMBL15017325 0.73 PDE2A (0.45) PDE2AKMT2A
SCHEMBL27186657 0.73 HTT (0.33) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 EP disclosed
CN-115151550-A Ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2022-10-04 CN disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
EP-3313852-B1 SUBSTITUTED PYRAZOLO/IMIDAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-01-20 EP disclosed
EP-3313852-B1 SUBSTITUTED PYRAZOLO/IMIDAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-01-20 EP disclosed
US-10647727-B2 Substituted pyrazolo/imidazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2020-05-12 US disclosed
US-10647727-B2 Substituted pyrazolo/imidazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2020-05-12 US disclosed
US-20180162874-A1 SUBSTITUTED PYRAZOLO/IMIDAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-14 US disclosed
US-20180162874-A1 SUBSTITUTED PYRAZOLO/IMIDAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-14 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 (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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 PDE2A 37/4885KMT2A 4411/4885HTR2C 4192/4885
US-20180162874-A1 SUBSTITUTED PYRAZOLO/IMIDAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D PDE2A 1/4885KMT2A 1253/4885HTR2C 106/4885
US-10647727-B2 Substituted pyrazolo/imidazolo bicyclic compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D PDE2A 1/4885KMT2A 1253/4885HTR2C 106/4885

“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.