SCHEMBL4183631

SCHEMBL4183631

O=c1c2c(Cc3ccc(OC(F)(F)F)cc3)n[nH]c2c2cccnc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
CYP1A2 P05177 1/20 0.39
PARP1 P09874 2/20 0.37
VNN1 O95497 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
P2RY1 P47900 1/20 0.35
PPARG P37231 1/20 0.35
PIM1 P11309 1/20 0.35
THRB P10828 2/20 0.34
HTT P42858 1/20 0.34
IDO1 P14902 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
SCHEMBL4186970 0.93 PDE1A (0.44) PDE1APDE1BPARP1SMN1; SMN2MAPT
SCHEMBL4187892 0.93 PDE1A (0.41) PDE1APDE1BCYP1A2PARP1SMN1; SMN2
SCHEMBL4192248 0.93 PDE1A (0.42) PDE1APDE1BCYP1A2PARP1MAPT
SCHEMBL4192370 0.92 PDE1A (0.42) PDE1APDE1BCYP1A2PARP1SMN1; SMN2
SCHEMBL4185765 0.92 PDE1A (0.46) PDE1APDE1BCYP1A2PARP1SMN1; SMN2
SCHEMBL4190234 0.90 PARP1 (0.45) PDE1APDE1BCYP1A2PARP1SMN1; SMN2
SCHEMBL4192513 0.90 PDE1A (0.52) PDE1APDE1BPARP1SMN1; SMN2POLB
SCHEMBL4194544 0.90 PDE1A (0.52) PDE1APDE1BCYP1A2PARP1SMN1; SMN2
SCHEMBL4191899 0.89 PDE1A (0.46) PDE1APDE1BCYP1A2PARP1SMN1; SMN2
SCHEMBL4180788 0.88 PARP1 (0.43) PDE1APDE1BPARP1MAPTTP53

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.