SCHEMBL4183676

SCHEMBL4183676

O=c1c2c(Cc3ccccc3OC(F)(F)F)n[nH]c2c2cccnc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCKBR P32239 1/20 0.36
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
PARP1 P09874 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TRPV1 Q8NER1 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
SCHEMBL4197140 0.92 AR (0.43) PDE1APDE1BPOLBCYP1A2TP53
SCHEMBL4195939 0.92 PDE1A (0.41) PDE1APDE1BSMN1; SMN2PDE4BPDE4D
SCHEMBL4189491 0.91 PDE1A (0.48) PDE1APDE1BALDH1A1PDE4BPDE4D
SCHEMBL4193996 0.88 AR (0.45) PDE1APDE1BPOLBCYP1A2TP53
SCHEMBL4189836 0.88 TP53 (0.42) PDE1APDE1BPOLBCYP1A2TP53
SCHEMBL4183635 0.88 CYP1A2 (0.42) PDE1APDE1BPOLBCYP1A2TP53
SCHEMBL4192191 0.86 ADORA2A (0.42) PDE1APDE1BMAPTPDE4BPDE4D
SCHEMBL4183631 0.86 PDE1A (0.42) PDE1APDE1BPOLBCYP1A2TP53
SCHEMBL4194544 0.86 PDE1A (0.52) PDE1APDE1BPOLBCYP1A2TP53
SCHEMBL4187892 0.85 PDE1A (0.41) PDE1APDE1BPOLBCYP1A2TP53

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 21/4885POLB 1630/4885

“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.