SCHEMBL4180788

SCHEMBL4180788

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 2/20 0.36
IDO1 P14902 1/20 0.35
KCNN4 O15554 2/20 0.35
METAP2 P50579 1/20 0.35
TP53 P04637 1/20 0.34
P2RX3 P56373 1/20 0.34
CFD P00746 1/20 0.34
HPGD P15428 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
SCHEMBL4186970 0.95 PDE1A (0.44) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4197165 0.93 PDE1A (0.51) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4192248 0.92 PDE1A (0.42) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4187720 0.92 PDE1A (0.45) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4197168 0.89 PDE1A (0.50) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4183631 0.88 PDE1A (0.42) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4192370 0.88 PDE1A (0.42) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4190234 0.88 PARP1 (0.45) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4192513 0.88 PDE1A (0.52) PARP1PDE1APDE1BPDE4BPDE4D
SCHEMBL4187892 0.88 PDE1A (0.41) PARP1PDE1APDE1BPDE4BPDE4D

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 PARP1 916/4885PDE1A 26/4885PDE1B 21/4885

“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.