SCHEMBL22042856

SCHEMBL22042856

O=C(O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.74
ESR1 P03372 1/20 0.74
POLB P06746 1/20 0.74
DNMT1 P26358 1/20 0.74
ALDH1A1 P00352 5/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
HPGD P15428 3/20 0.71
MAPK1 P28482 1/20 0.71
HTT P42858 2/20 0.68
MAPT P10636 2/20 0.66
HSD17B10 Q99714 2/20 0.66
CREBBP Q92793 1/20 0.66
TP53 P04637 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
DAPK3 O43293 1/20 0.63
PIM1 P11309 1/20 0.63
PIM3 Q86V86 1/20 0.63
NPC1 O15118 1/20 0.63

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
SCHEMBL19342064 0.91 TSHR (0.71) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL22042840 0.90 KMT2A (0.77) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL19342086 0.88 KMT2A (0.81) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL22042983 0.86 CYP1A2 (0.85) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL19342077 0.86 ALDH1A1 (0.79) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL22071795 0.85 ALDH1A1 (0.82) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL19181286 0.84 ALDH1A1 (0.64) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL17508828 0.83 ALDH1A1 (0.65) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL23918335 0.83 ALDH1A1 (0.75) TSHRESR1POLBDNMT1ALDH1A1
SCHEMBL19342061 0.83 CYP1A2 (0.73) TSHRESR1POLBDNMT1ALDH1A1

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 9 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
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 TSHR 4222/4885ESR1 4678/4885POLB 3019/4885
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A TSHR 4222/4885ESR1 4678/4885POLB 3019/4885

“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.