SCHEMBL4187892

SCHEMBL4187892

O=c1c2c(Cc3cccc(OC(F)(F)F)c3)n[nH]c2c2cccnc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
CYP1A2 P05177 1/20 0.39
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
KCNN4 O15554 3/20 0.37
PPARG P37231 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
HTT P42858 1/20 0.34
MPO P05164 1/20 0.34

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
SCHEMBL4192370 0.98 PDE1A (0.42) PDE1APDE1BCYP1A2PDE4BPDE4D
SCHEMBL4187720 0.95 PDE1A (0.45) PDE1APDE1BPDE4BPDE4DKCNN4
SCHEMBL4183631 0.93 PDE1A (0.42) PDE1APDE1BCYP1A2PDE4BPDE4D
SCHEMBL4192248 0.92 PDE1A (0.42) PDE1APDE1BCYP1A2PDE4BPDE4D
SCHEMBL4197168 0.92 PDE1A (0.50) PDE1APDE1BPDE4BPDE4DKCNN4
SCHEMBL4191899 0.92 PDE1A (0.46) PDE1APDE1BCYP1A2PDE4BPDE4D
SCHEMBL4197165 0.91 PDE1A (0.51) PDE1APDE1BPDE4BPDE4DKCNN4
SCHEMBL4186970 0.89 PDE1A (0.44) PDE1APDE1BPDE4BPDE4DKCNN4
SCHEMBL4194544 0.89 PDE1A (0.52) PDE1APDE1BCYP1A2PDE4BPDE4D
SCHEMBL4180788 0.88 PARP1 (0.43) PDE1APDE1BPDE4BPDE4DKCNN4

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 4 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 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.