SCHEMBL30357429

SCHEMBL30357429

Cn1c(-c2c[nH]c3cc(C#N)ccc23)nc2ccc(C(=O)N3CCOC(c4ccccc4)C3CO)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE12 Q6L8Q7 2/20 1.00
MC4R P32245 1/20 0.38
FASN P49327 5/20 0.36
GLP1R P43220 1/20 0.36
PDE10A Q9Y233 1/20 0.34
PADI4 Q9UM07 2/20 0.34
KDM1A O60341 2/20 0.34
CXCR3 P49682 1/20 0.34
ADORA2A P29274 1/20 0.34
AVPR1B P47901 1/20 0.34
HSD11B1 P28845 2/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL29446571 0.69 PDE12 (1.00) PDE12FASNKDM1A
SCHEMBL3537456 0.57 ITK (0.53) PDE12PDE10A
SCHEMBL13549069 0.57 ITK (0.57) PDE12
SCHEMBL22956068 0.56 HPGD (0.53) PADI4ADORA2A
SCHEMBL17263216 0.56 SMN1; SMN2 (0.49) PDE10A
SCHEMBL20918168 0.56 RAB9A (0.55)
SCHEMBL17896610 0.56 CYP11B2 (0.53) PDE10A
SCHEMBL3534853 0.55 FGFR1 (0.48) PDE12ALK
SCHEMBL3540234 0.55 ITK (0.48) PDE12
Oxalic Acid SCHEMBL7865005 0.55 KDM4E (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118903419-A Use of PDE inhibitors or salts thereof for the production of medicaments for the prophylaxis and/or treatment of gastrointestinal diseases 广州市妇女儿童医疗中心 2024-11-08 CN disclosed
CN-113244395-B Fibrotic disease mechanism and therapeutic agent thereof 广州市妇女儿童医疗中心 2024-07-23 CN disclosed
US-20230111925-A1 FIBROTIC DISEASE MECHANISM AND THERAPEUTIC DRUG THEREFOR GUANGZHOU WOMEN AND CHILDREN'S MEDICAL CENTER (CN) 2023-04-13 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 (1 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-20230111925-A1 FIBROTIC DISEASE MECHANISM AND THERAPEUTIC DRUG THEREFOR PDE7B, PDE4B, PDE3B PDE12 13/4885MC4R 3352/4885FASN 1583/4885

“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.