SCHEMBL22042885

SCHEMBL22042885

O=c1[nH]c(Cl)cc2c1cnn2-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 3/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
CREBBP Q92793 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 3/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
S1PR4 O95977 1/20 0.45
THRB P10828 1/20 0.45
XBP1 P17861 1/20 0.45
S1PR1 P21453 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE5A O76074 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
PDE9A O76083 1/20 0.43

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
SCHEMBL22042893 0.86 HTT (0.47) ALDH1A1TSHRHPGDCREBBPHTT
SCHEMBL16728898 0.82 RAB9A (0.52) ALDH1A1TSHRHPGDRAB9AMAPT
SCHEMBL31632829 0.74 ALDH1A1 (0.46) ALDH1A1TSHRHPGDRAB9AMAPT
SCHEMBL22043000 0.73 ALDH1A1 (0.68) ALDH1A1TSHRHPGDRAB9AMAPT
SCHEMBL6035072 0.71 RAB9A (0.49) ALDH1A1TSHRHPGDRAB9AMAPT
SCHEMBL2644551 0.71 RAB9A (0.49) ALDH1A1TSHRHPGDRAB9AMAPT
SCHEMBL20413782 0.70 ALDH1A1 (0.47) ALDH1A1TSHRHPGDRAB9AMAPT
SCHEMBL23905864 0.70 PDE9A (0.43) PDE9A
SCHEMBL23905832 0.70 PDE9A (0.52) PDE5APDE9A
SCHEMBL19327576 0.69 ALDH1A1 (0.51) ALDH1A1TSHRHPGDRAB9AMAPT

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-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
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

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 ALDH1A1 517/4885TSHR 4222/4885HPGD 966/4885
US-20220017528-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF PDE9A, PDE5A, PDE3A ALDH1A1 517/4885TSHR 4222/4885HPGD 966/4885

“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.