SCHEMBL22042833

SCHEMBL22042833

CC(C)n1ncc2c(=O)[nH]c(SCC(=O)O)nc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 11/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 2/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
DNMT1 P26358 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 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
SCHEMBL22042948 0.86 CYP1A2 (0.67) PDE9AMEN1KMT2AALDH1A1HPGD
SCHEMBL22071806 0.86 LMNA (0.59) PDE9AALDH1A1TSHRESR1
SCHEMBL22042838 0.80 SMN1; SMN2 (0.52) PDE9AMEN1KMT2AALDH1A1HPGD
SCHEMBL19342087 0.79 DAPK3 (0.61) PDE9AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL22042828 0.79 SMN1; SMN2 (0.52) PDE9AMEN1KMT2AALDH1A1HPGD
SCHEMBL22042836 0.78 ALDH1A1 (0.50) PDE9AMEN1KMT2AALDH1A1HPGD
SCHEMBL22042856 0.78 TSHR (0.74) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL19342102 0.77 MEN1 (0.69) PDE9AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL22042911 0.75 PDE9A (0.57) PDE9A
SCHEMBL22042840 0.75 KMT2A (0.77) MEN1KMT2AALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187729-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-01-07 US disclosed
EP-3892622-B1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RES INST CHEMICAL TECH (KR) 2024-07-24 EP disclosed
CN-113166159-B Compounds having PDE9A inhibiting activity and pharmaceutical uses thereof 韩国化学研究院 2023-10-24 CN disclosed
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-20 US disclosed
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-20 US disclosed
EP-3892622-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed
EP-3892622-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed
CN-113166159-A Compound with PDE9A inhibitory activity and pharmaceutical use thereof 韩国化学研究院 2021-07-23 CN disclosed
WO-2020116972-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 WO disclosed
WO-2020116972-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF 한국화학연구원 2020-06-11 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 (2 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-12187729-B2 Compounds having PDE9A inhibitory activity, and pharmaceutical uses thereof PDE9A, PDE5A, PDE3A PDE9A 1/4885MEN1 2770/4885KMT2A 1360/4885
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A PDE9A 1/4885MEN1 2770/4885KMT2A 1360/4885

“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.