SCHEMBL4189836

SCHEMBL4189836

O=c1c2c(Cc3ccccc3Cl)n[nH]c2c2cccnc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
AR P10275 1/20 0.40
CYP1A2 P05177 1/20 0.38
MAPT P10636 6/20 0.37
CCKBR P32239 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
PARP1 P09874 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4C Q08493 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
SCHEMBL4193996 0.91 AR (0.45) TP53POLBPDE1APDE1BAR
SCHEMBL4183635 0.90 CYP1A2 (0.42) TP53POLBPDE1APDE1BAR
SCHEMBL4192024 0.88 PDE1A (0.40) PDE1APDE1BARMAPTALDH1A1
SCHEMBL4194544 0.88 PDE1A (0.52) TP53POLBPDE1APDE1BCYP1A2
SCHEMBL4197140 0.88 AR (0.43) TP53POLBPDE1APDE1BAR
SCHEMBL4183676 0.88 PDE1A (0.40) TP53POLBPDE1APDE1BCYP1A2
SCHEMBL4187889 0.87 SMN1; SMN2 (0.45) TP53POLBPDE1APDE1BAR
SCHEMBL4191899 0.87 PDE1A (0.46) TP53POLBPDE1APDE1BCYP1A2
SCHEMBL4185765 0.86 PDE1A (0.46) TP53POLBPDE1APDE1BCYP1A2
SCHEMBL4190234 0.84 PARP1 (0.45) TP53POLBPDE1APDE1BCYP1A2

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 TP53 4856/4885POLB 1630/4885PDE1A 26/4885

“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.