SCHEMBL4189567

SCHEMBL4189567

CC(c1ccccc1)c1n[nH]c2c1c(=O)n(-c1cccc(C(F)(F)F)c1)c1ncccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
CYP1A2 P05177 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
KCNN4 O15554 2/20 0.39
PDE4B Q07343 6/20 0.38
PDE4D Q08499 6/20 0.38
PDE4A P27815 5/20 0.38
PDE4C Q08493 5/20 0.38
PPARG P37231 2/20 0.37
LMNA P02545 1/20 0.37
CCKBR P32239 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35

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
SCHEMBL4187989 0.88 PDE1A (0.41) PDE1APDE1BPDE4BPDE4DPDE4A
SCHEMBL4183665 0.88 PDE1A (0.53) PDE1APDE1BTP53PDE4BPDE4D
SCHEMBL4194544 0.80 PDE1A (0.52) PDE1APDE1BCYP1A2TP53POLB
SCHEMBL4183635 0.78 CYP1A2 (0.42) PDE1APDE1BCYP1A2TP53POLB
SCHEMBL4191899 0.78 PDE1A (0.46) PDE1APDE1BCYP1A2TP53POLB
SCHEMBL4192481 0.77 PDE1A (0.52) PDE1APDE1BTP53POLBPDE4B
SCHEMBL4185765 0.77 PDE1A (0.46) PDE1APDE1BCYP1A2TP53POLB
SCHEMBL4193996 0.77 AR (0.45) PDE1APDE1BCYP1A2TP53POLB
SCHEMBL4190247 0.77 PDE1A (0.51) PDE1APDE1BPDE4BPDE4DPDE4A
SCHEMBL4189836 0.76 TP53 (0.42) PDE1APDE1BCYP1A2TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP claimed
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP disclosed
US-8193356-B2 Heterocycle compound, and production process and application thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed
EP-1925617-A1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA Pharmaceutical Co., Ltd. (JP) 2008-05-28 EP 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-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof PDE3B, PDE4B, PDE7A PDE1A 26/4885PDE1B 21/4885CYP1A2 549/4885

“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.